data_1wx9_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 1wx9 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tt -103.77 135.87 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -90.23 139.84 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 66.3 t -141.41 124.67 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 11' ' ' LEU . 5.5 mp -100.82 156.1 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.17 117.65 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -107.21 106.98 17.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 p -72.5 -171.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.58 44.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -161.99 34.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t 42.09 75.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -146.38 85.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 m -82.53 129.47 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -129.61 117.31 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.2 138.56 42.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' VAL . 61.5 m-85 -134.21 139.16 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 mm -112.54 104.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.43 163.29 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.54 122.81 18.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.3 -32.82 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.43 -41.53 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -38.13 148.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.6 p-10 -97.64 170.39 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 11.9 t -58.5 -51.33 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -48.58 -67.6 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 42.8 mt-10 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.502 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 63.9 t80 -41.54 -45.15 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -58.79 -43.14 90.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 26.5 mt-10 -65.99 -32.19 73.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.93 -59.24 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 pt -68.02 -27.4 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -42.93 -30.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.12 -57.28 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -60.8 -62.08 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 16.8 m -54.57 -32.09 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.15 14.49 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 25.0 mt -112.92 140.19 23.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.0 Cg_endo -75.03 145.39 31.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.1 p -49.57 -55.08 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.86 -24.23 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 -27.88 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' SER . 46.1 mt-30 -75.77 170.12 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 23.7 ttt180 -174.35 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 27.5 mt -55.91 127.98 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -124.85 135.82 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -144.09 128.06 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.23 23.9 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.7 22.98 68.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.27 150.5 43.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 49' ' ' ARG . 8.1 p -90.92 110.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 66' ' ' TYR . 7.6 mt -59.68 127.21 30.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -68.72 146.45 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.28 -52.78 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -29.22 63.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 165.17 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -118.76 158.14 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.71 -58.69 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASN . 17.6 tt0 -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -49.11 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' HD23 ' A' ' 57' ' ' LEU . 47.8 m-85 -74.69 -31.59 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 81.47 47.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 73' ' ' ILE . 6.0 m -91.1 18.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.94 120.0 21.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.65 11.18 41.16 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -94.07 166.04 12.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -106.59 110.49 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.472 HD12 ' CG1' ' A' ' 10' ' ' VAL . 10.4 mt -89.69 163.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.42 99.91 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.617 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 3.4 tp -89.68 139.36 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -124.16 143.19 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tt -94.54 130.17 41.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.461 ' CG ' HG23 ' A' ' 21' ' ' THR . 26.2 tt0 -89.06 147.83 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.455 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 62.1 t -146.05 131.58 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 4.4 mp -108.38 167.68 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 34.9 t -158.85 130.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -118.97 110.46 17.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 p -78.9 -162.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 15' ' ' LEU . 4.7 mp -91.34 53.07 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.07 26.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m 39.48 62.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 108.47 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -96.41 131.0 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -121.85 126.83 49.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -82.13 136.26 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.5 m-85 -130.82 141.19 50.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -113.0 104.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.28 163.35 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.47 122.21 8.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.58 -41.34 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.7 mt-30 -55.84 -43.86 77.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.9 ttm -37.33 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -100.82 172.87 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 10.5 t -59.39 -53.7 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 1.2 ttpt -48.39 -67.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.5 mt-10 -38.81 -59.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 67.8 t80 -45.2 -48.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 8.4 mttp -54.87 -42.42 72.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.13 -33.45 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.7 -56.67 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' SER . 31.7 pt -68.14 -33.56 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.48 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.55 40.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.6 m -64.53 -63.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 32.8 m -56.4 -25.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.26 28.58 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 81.9 mt -126.4 142.37 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 143.57 29.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.424 1.75 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 p -50.95 -48.82 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -52.99 -27.1 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -92.61 -25.79 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -78.94 166.17 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -165.07 81.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.37 125.28 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 49' ' ' ARG . 15.6 mt -129.55 126.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 53' ' ' GLN . 90.3 t80 -110.83 122.02 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 52' ' ' TYR . 1.6 mm100 67.04 -66.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.67 32.53 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -134.81 136.86 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -81.24 104.59 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.646 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 5.3 mt -51.73 127.0 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.43 137.94 44.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -55.74 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -53.08 -37.33 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -59.31 163.52 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -117.01 153.82 31.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.17 -59.59 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -47.35 -38.47 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.04 -41.71 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.646 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 41.1 m-85 -83.97 -8.8 59.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 61.29 45.1 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG13 ' CB ' ' A' ' 66' ' ' TYR . 29.4 m -89.35 14.29 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.71 121.12 25.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.02 12.06 41.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -94.83 167.44 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -108.27 112.52 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 mt -91.06 172.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -125.81 97.4 5.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.582 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.5 tp -85.79 146.73 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.71 142.53 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.52 133.97 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CG ' HG21 ' A' ' 21' ' ' THR . 40.5 tt0 -87.96 144.34 26.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PHE . 40.8 t -145.91 128.9 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.13 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 24.5 t -154.86 124.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -114.09 119.39 36.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.3 p -86.66 170.69 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.74 59.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -177.76 36.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.84 72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -143.32 95.52 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -90.36 139.24 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -138.17 117.21 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.61 135.97 37.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' VAL . 58.8 m-85 -133.26 142.3 48.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.21 104.34 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.26 163.34 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.57 122.58 14.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.59 -35.71 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 5.3 mt-30 -62.18 -41.98 98.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.3 ttm -37.56 149.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.493 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.8 p-10 -98.03 172.5 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.45 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 10.7 t -59.65 -48.9 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 2.0 ttpp -52.59 -66.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 38.6 mt-10 -40.26 -53.88 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -50.65 -43.48 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 11.7 mttt -59.34 -44.98 92.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.15 -33.05 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.09 -57.4 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.4 pt -68.97 -31.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' SER . . . -40.93 -32.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.59 -52.99 25.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ILE . 58.0 m -60.43 -58.87 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.07 -23.99 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 72.8 8.64 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 80.8 mt -105.53 142.09 24.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 143.51 29.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLN . 4.2 t -46.7 -54.14 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.63 -21.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE2' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mtmt -92.4 -28.47 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 48.8 mt-30 -84.87 162.84 19.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.7 ttt180 -162.24 76.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 56.4 mt -50.0 136.37 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.79 126.67 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -123.96 123.75 41.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 67.22 17.59 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.04 81.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.95 129.81 46.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -65.63 139.16 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 66' ' ' TYR . 6.0 mt -88.89 126.29 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.21 141.41 57.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -52.49 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.03 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -55.96 164.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -118.8 156.99 28.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -58.59 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -42.25 -44.22 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -54.29 23.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 57' ' ' LEU . 56.2 m-85 -69.9 -12.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 61.18 46.41 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 66' ' ' TYR . 32.8 m -88.67 11.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.69 118.24 9.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.41 10.39 42.27 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -93.32 166.13 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.2 t -105.81 112.77 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.97 169.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -119.51 96.94 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 4.4 tp -84.24 148.73 26.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.71 142.13 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' CG ' HG21 ' A' ' 21' ' ' THR . 30.4 tt0 -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.556 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.3 t -144.73 129.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.4 mp -102.32 168.99 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 71.9 t -156.57 116.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.12 121.32 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -87.81 179.6 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.56 54.23 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -168.73 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.7 70.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -143.54 90.58 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.3 m -87.95 135.83 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -133.48 120.23 20.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.46 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -81.04 135.98 35.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.62 139.49 49.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.87 104.33 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.55 163.21 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.2 122.61 15.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.85 -40.09 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.6 mm-40 -56.55 -43.98 80.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.71 146.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -95.84 177.82 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 4.4 t -63.35 -57.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.39 -64.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLU . 19.8 mt-10 -42.22 -59.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 47.8 t80 -45.4 -40.88 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 19.8 mttt -65.13 -35.51 81.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . 37.1 mt-10 -71.51 -35.07 70.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -67.37 -56.29 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.5 -31.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.63 -33.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.21 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -62.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.3 m -60.98 -32.73 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 78.43 14.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 71.6 mt -106.86 141.19 22.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 p -55.94 -44.49 78.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.0 -19.81 14.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -100.82 -25.74 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -71.18 170.88 12.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.439 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 53.4 ttt180 -171.72 76.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.38 131.42 50.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -134.14 128.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 66.9 t80 -134.66 121.55 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 87.42 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.36 -17.07 1.68 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.23 133.91 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.12 135.43 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 66' ' ' TYR . 12.2 mt -76.67 126.53 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.48 137.11 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -43.9 98.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -30.23 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -68.95 168.41 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -120.26 155.93 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.99 -60.24 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -44.91 -43.82 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.37 -53.53 21.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 57' ' ' LEU . 50.6 m-85 -70.06 -16.03 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 35.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 26.9 m -81.81 4.6 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.19 41.38 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -94.17 166.21 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -105.32 116.0 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' CG1' ' A' ' 10' ' ' VAL . 4.5 mt -94.42 172.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -125.57 94.74 4.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -87.67 137.25 32.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m -122.41 145.54 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.43 134.29 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.4 tt0 -91.87 145.73 24.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.1 t -146.24 129.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.7 mp -105.67 169.12 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 25.6 t -156.71 125.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 137.15 52.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 p -120.12 178.94 4.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -25.83 62.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -16.86 62.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.98 71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.048 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -149.02 64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.8 m -38.76 135.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -130.22 117.6 20.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.488 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.29 135.62 37.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.1 m-85 -132.04 138.37 48.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mm -111.0 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.0 m -128.02 163.29 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.75 123.19 9.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.02 -38.57 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -57.65 -43.89 85.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 54.4 ttm -38.19 147.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.1 p-10 -98.24 166.41 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 20.9 t -54.58 -53.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -46.08 -60.78 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLU . 32.8 mt-10 -49.01 -57.95 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 59.8 t80 -44.74 -38.24 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.2 mttm -66.53 -38.7 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 30.8 mt-10 -70.94 -33.67 70.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.52 -49.45 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 pt -77.04 -29.34 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.71 -35.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.77 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -62.0 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 26.9 m -53.58 -31.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.84 16.56 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 69.6 mt -116.54 141.19 27.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 144.04 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -54.72 -37.09 65.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.03 -12.38 54.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -111.15 -17.37 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -81.75 165.05 21.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' NE ' HD11 ' A' ' 51' ' ' ILE . 49.8 ttt180 -166.23 87.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 21.8 mt -67.07 136.41 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HD11 ' NE ' ' A' ' 49' ' ' ARG . 36.5 mt -137.54 127.83 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 40.4 t80 -134.66 122.96 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 86.33 -37.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.35 -18.25 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 134.4 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 p -65.26 142.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 66' ' ' TYR . 10.5 mt -81.58 131.28 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 142.71 49.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -47.15 68.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -16.93 63.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.04 169.17 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -120.44 158.05 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.51 -58.54 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' ASN . 37.6 tt0 -41.32 -52.57 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -58.72 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CD2' HD23 ' A' ' 57' ' ' LEU . 60.5 m-85 -65.22 -28.41 69.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER 79.88 46.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 32.6 m -91.68 20.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.82 116.43 9.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.27 10.15 46.28 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -93.03 169.68 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -107.0 121.71 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.6 mt -99.36 172.01 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -124.62 93.47 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.571 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -87.04 140.3 29.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.01 143.33 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -99.88 133.05 44.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -87.53 139.21 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.2 t -140.69 126.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -104.65 152.22 22.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 67.8 t -137.33 131.71 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -111.4 146.37 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.0 p -114.01 -169.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.38 -22.78 43.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -89.14 8.97 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t 55.92 65.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -129.11 85.85 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.248 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -70.07 130.31 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -128.19 123.62 34.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 132.34 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -129.36 142.37 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -115.57 104.31 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.77 163.42 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.33 122.21 9.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.89 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 44.3 mm-40 -55.37 -44.11 75.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.3 ttm -37.23 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.2 p-10 -98.05 169.54 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 16.8 t -55.87 -49.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 3.2 ttmt -51.31 -67.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 37.4 mt-10 -38.92 -54.78 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 29.5 t80 -49.36 -47.61 47.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 17.9 mttt -53.25 -45.17 68.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.76 -33.91 76.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -65.58 -56.88 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 39' ' ' ALA . 36.8 pt -69.68 -32.8 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 43' ' ' ILE . . . -40.73 -30.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -72.26 -58.3 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.3 m -62.08 -54.93 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 27.7 m -63.62 -30.93 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 32.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 23.0 mt -129.51 139.89 37.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 144.23 29.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 p -54.68 -38.95 67.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.59 -15.37 51.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -107.16 -27.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.58 162.88 27.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' CG ' HG23 ' A' ' 56' ' ' VAL . 4.9 ttm180 -169.15 76.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CB ' HD11 ' A' ' 57' ' ' LEU . 44.8 mt -50.14 139.09 14.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -132.27 131.16 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -135.59 122.89 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 63.45 29.52 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.42 67.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -131.24 127.8 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 49' ' ' ARG . 4.1 p -71.75 113.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 66' ' ' TYR . 7.4 mt -63.24 140.88 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.22 137.49 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -47.66 83.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -34.84 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 169.71 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -122.08 157.04 32.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.84 -59.3 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -42.98 -42.84 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -45.53 70.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.569 ' CD2' HD23 ' A' ' 57' ' ' LEU . 48.4 m-85 -77.89 -9.95 59.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 61.5 47.31 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 66' ' ' TYR . 13.1 m -94.85 26.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.5 104.86 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.71 -11.73 58.59 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -72.13 165.94 23.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.39 110.64 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.46 HD11 ' CG1' ' A' ' 10' ' ' VAL . 7.9 mt -87.8 166.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -119.55 99.26 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 9.2 tp -82.47 155.04 24.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.19 142.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -98.15 134.83 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -87.03 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 45.9 t -140.44 130.71 28.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.7 mp -106.18 163.82 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 37.5 t -150.76 116.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -110.79 110.68 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -75.73 -171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 3.4 mp -87.87 61.11 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.6 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -145.46 89.96 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -86.05 144.44 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -135.57 117.19 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -78.34 134.34 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -133.25 140.64 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mm -113.75 104.16 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.06 163.42 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.27 121.47 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -50.27 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 mm-40 -45.47 -43.58 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.9 ttm -36.93 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -103.26 163.92 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG21 ' CD1' ' A' ' 63' ' ' LEU . 37.8 t -51.11 -54.03 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -47.91 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 27.9 mt-10 -45.39 -57.65 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 65.0 t80 -46.12 -39.02 8.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -65.13 -46.77 79.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.83 -34.04 72.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.55 -62.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.89 -28.31 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.52 -37.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -63.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -57.96 -62.12 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 27.8 m -54.96 -30.55 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 68.37 19.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 97.7 mt -114.69 142.45 28.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 142.99 28.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.808 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -56.71 -19.81 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -75.88 -30.15 58.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -94.78 -15.71 23.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.83 168.8 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 2.0 ttm105 -178.81 76.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 29.3 mt -55.17 138.47 44.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 56' ' ' VAL . 41.8 mt -138.44 126.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 53' ' ' GLN . 89.5 t80 -111.26 122.25 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 67.4 mt-30 68.09 -66.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.29 32.59 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -137.08 136.25 38.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG2' HG12 ' A' ' 51' ' ' ILE . 42.8 t -80.5 111.78 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.628 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 3.8 mt -58.82 125.89 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 144.66 51.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -55.67 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -29.41 57.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.34 163.28 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -118.3 156.24 29.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.95 -58.84 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -43.98 -41.56 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -49.6 60.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 52.8 m-85 -77.36 -11.96 59.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.06 51.79 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 21.7 m -97.0 25.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.64 104.61 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.4 45.61 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -68.27 166.43 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -106.99 114.09 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 10' ' ' VAL . 5.6 mt -90.86 170.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -123.4 96.1 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 4.9 tp -81.71 153.41 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 36.0 m -138.56 143.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.316 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.46 133.58 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 53.4 tt0 -88.13 146.56 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.485 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 48.8 t -149.14 129.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.64 164.96 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 42.5 t -150.26 127.59 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.81 152.58 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.0 p -124.71 -167.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -21.89 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.53 6.23 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 t 58.04 42.21 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.71 98.0 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -86.43 128.79 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -126.25 129.95 49.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.489 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.2 m -83.69 140.58 32.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 10' ' ' VAL . 62.8 m-85 -134.28 137.07 43.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.83 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.8 163.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.16 123.16 9.28 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.43 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 28' ' ' MET . 6.2 mt-30 -55.1 -43.69 74.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.3 ttm -37.24 154.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -108.13 161.05 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.3 t -50.86 -56.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -43.91 -54.65 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 72.4 t80 -46.18 -36.43 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.6 mttm -64.11 -47.25 80.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.56 -38.18 86.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.51 -51.24 70.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' C ' ' N ' ' A' ' 39' ' ' ALA . 36.1 pt -73.4 -31.3 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -40.74 -31.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.38 -54.55 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.1 m -66.41 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.6 m -54.7 -31.04 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.16 20.61 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 85.6 mt -116.93 141.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.97 144.14 30.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -52.7 -41.75 64.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.39 -14.04 24.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 -16.75 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -76.98 165.79 24.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 56' ' ' VAL . 63.6 ttt180 -168.59 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 60.3 mt -57.11 133.41 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.33 126.21 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 68' ' ' VAL . 32.4 t80 -115.24 121.86 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.3 -65.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.23 33.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -139.45 142.18 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 49' ' ' ARG . 9.9 p -80.19 123.66 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 66' ' ' TYR . 8.6 mt -76.08 113.44 13.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.43 157.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 -21.89 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.59 167.79 21.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -113.7 155.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.75 -58.33 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.42 -54.93 14.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' HD21 ' A' ' 57' ' ' LEU . 69.4 m-85 -68.5 -14.51 63.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.08 49.43 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 52' ' ' TYR . 34.5 m -92.66 25.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.51 114.16 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.76 6.77 52.75 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -89.28 167.72 12.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.02 118.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 mt -95.56 172.4 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -125.62 91.56 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.554 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 4.0 tp -84.44 147.72 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.25 143.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 139.76 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CG ' HG21 ' A' ' 21' ' ' THR . 18.2 tt0 -93.98 144.61 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.552 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 58.2 t -145.75 129.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -107.0 165.52 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 37.4 t -150.13 116.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -104.0 112.5 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.0 p -81.06 172.67 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.96 57.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.17 35.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.31 74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -150.73 88.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -85.56 138.12 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -132.89 117.95 18.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -77.12 137.82 39.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.3 m-85 -133.61 143.69 48.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mm -116.32 104.21 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.42 ' CG1' ' CD2' ' A' ' 36' ' ' HIS . 26.9 m -128.02 163.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.44 122.62 15.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.14 -37.51 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' MET . 34.9 mt-30 -59.92 -42.33 93.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.1 ttm -37.02 145.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.5 p-10 -96.65 165.86 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 17.4 t -53.66 -48.35 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -51.66 -67.58 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -39.74 -55.8 1.85 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 52.0 t80 -46.62 -48.27 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 32.3 mttt -52.89 -45.4 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.45 -32.2 73.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 81.2 t60 -67.79 -57.4 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.424 ' C ' ' N ' ' A' ' 39' ' ' ALA . 28.6 pt -68.95 -33.25 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -41.02 -30.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.74 -55.14 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -66.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 33.4 m -54.03 -28.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 26.79 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 33.3 mt -124.29 141.04 36.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.1 143.61 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 p -52.91 -44.02 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.21 -15.59 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -106.37 -23.17 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 55.5 mt-30 -80.03 159.42 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 33.3 ttt180 -157.88 85.28 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 53.3 mt -63.5 124.89 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 HD12 ' NE ' ' A' ' 49' ' ' ARG . 7.8 mt -129.22 126.4 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -114.71 121.37 43.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 69.27 -63.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.04 34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.98 131.82 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG22 ' NE ' ' A' ' 49' ' ' ARG . 11.4 p -75.49 108.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD23 ' CD2' ' A' ' 66' ' ' TYR . 8.0 mt -55.91 124.42 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.49 142.95 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -63.31 -55.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -51.35 -39.91 58.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -58.85 166.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -120.17 157.13 29.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.68 -59.13 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASN . 42.5 tt0 -42.88 -54.27 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.01 -50.18 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.584 ' CD2' HD23 ' A' ' 57' ' ' LEU . 45.3 m-85 -71.85 -32.42 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.1 t30 81.53 47.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.54 17.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.12 114.48 6.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.17 6.26 52.45 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -88.93 167.1 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -107.86 113.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.0 mt -91.99 171.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -124.6 96.88 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 7.3 tp -89.72 145.31 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 33.7 m -132.27 148.67 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -92.36 135.18 34.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.481 ' CG ' HG22 ' A' ' 21' ' ' THR . 33.2 tt0 -90.1 144.58 25.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.485 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 51.2 t -145.65 128.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.2 mp -104.05 169.15 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 38.0 t -155.85 116.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -109.45 106.53 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.8 p -70.43 -173.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.72 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.33 28.16 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t 45.47 69.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.17 81.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -76.28 133.62 40.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -132.4 117.37 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.59 135.15 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.6 m-85 -132.25 140.55 48.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mm -114.13 104.37 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.56 163.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.3 121.69 13.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.01 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' MET . 54.5 mt-30 -52.88 -42.64 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.4 ttm -36.87 153.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 1.8 p-10 -106.96 160.25 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 51.1 t -48.4 -52.95 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -49.28 -61.15 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -48.29 -53.04 18.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 76.8 t80 -51.13 -44.56 61.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mttp -54.82 -54.5 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -58.97 -57.12 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' SER . 36.2 pt -67.81 -31.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -42.0 -29.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.59 -51.75 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.9 m -70.95 -63.45 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 28.1 m -53.25 -32.09 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.68 20.03 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 14.9 mt -117.32 139.96 26.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.92 144.87 31.08 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -50.91 -50.42 57.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.4 -20.65 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -98.61 -27.7 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -80.93 162.76 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.3 ttm180 -165.28 78.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 72.3 mt -51.37 134.49 28.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.86 126.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' GLY . 61.2 t80 -109.96 122.57 47.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' TYR . 46.3 mm-40 66.33 -68.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.2 32.18 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -134.02 133.56 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -75.75 116.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 66' ' ' TYR . 4.6 mt -67.46 121.9 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -59.99 125.77 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -24.52 43.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -32.89 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.1 mmtp -63.12 166.66 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -114.47 155.0 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -60.04 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -42.71 -41.54 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -53.84 38.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' HD23 ' A' ' 57' ' ' LEU . 58.9 m-85 -72.7 -7.06 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.52 49.08 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 33.4 m -91.96 20.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.1 113.04 5.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.46 55.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -86.16 169.27 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -109.57 115.7 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' CG1' ' A' ' 10' ' ' VAL . 3.9 mt -95.12 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -125.99 92.45 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 4.4 tp -81.3 147.81 29.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -128.36 144.94 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -87.3 135.74 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' HG21 ' A' ' 21' ' ' THR . 31.9 tt0 -92.65 145.69 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 56.8 t -145.58 131.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.1 mp -107.22 169.42 8.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 70.3 t -155.63 118.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -105.75 134.95 48.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -101.75 -177.4 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.39 45.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.29 32.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 m 43.18 78.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -156.2 84.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -90.16 138.76 31.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -130.13 169.83 14.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.473 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -122.89 136.5 54.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' HG22 ' A' ' 37' ' ' ILE . 65.6 m-85 -132.11 137.81 47.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.1 mm -112.52 104.3 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.66 163.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.61 122.44 9.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.65 -43.9 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 30.9 mt-30 -52.7 -44.59 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.22 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.1 p-10 -100.63 168.49 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 13.4 t -56.1 -56.32 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 -61.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLU . 24.7 mt-10 -47.08 -59.67 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 56.4 t80 -43.86 -44.06 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 15.9 mttm -58.52 -41.78 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' GLU . 39.2 mt-10 -67.95 -32.38 72.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.72 -57.62 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 22' ' ' PHE . 22.5 pt -70.3 -29.54 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.3 -31.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.98 -56.23 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 m -63.15 -60.36 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.8 m -59.36 -24.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t 65.09 25.41 12.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 91.8 mt -118.7 142.34 31.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.91 143.22 29.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -58.57 -18.33 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.48 -31.3 47.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -93.65 -16.47 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.97 160.7 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' CG ' HG22 ' A' ' 56' ' ' VAL . 77.6 ttt180 -163.84 75.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 44.2 mt -61.3 126.67 28.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.54 126.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 54' ' ' GLY . 90.3 t80 -111.67 126.8 55.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 66.71 -67.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.47 32.41 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -139.3 134.1 32.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' CG ' ' A' ' 49' ' ' ARG . 9.8 p -73.23 106.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.636 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 7.1 mt -49.82 116.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -63.83 142.72 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -57.31 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -34.74 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -61.01 163.68 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -118.59 155.86 30.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.59 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -43.81 -47.95 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -53.57 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.636 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 40.1 m-85 -68.61 -26.86 65.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 1.8 t30 80.22 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.7 m -93.02 27.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.76 110.34 3.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.64 5.11 55.47 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -84.86 172.06 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.66 116.35 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' A' ' 10' ' ' VAL . 5.0 mt -94.84 173.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.63 95.66 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 9.3 tp -86.67 150.65 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.98 143.11 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -91.41 131.39 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 21' ' ' THR . 48.8 tt0 -88.76 149.02 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 73' ' ' ILE . 42.7 t -148.76 126.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mp -102.24 156.42 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.64 116.89 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -109.07 114.64 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -81.46 -165.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.8 48.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.92 30.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t 43.38 65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.94 87.27 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -85.18 134.62 34.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -131.89 119.74 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -78.23 134.1 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CD2' HG22 ' A' ' 37' ' ' ILE . 52.4 m-85 -131.4 139.42 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -112.2 104.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.9 m -126.18 163.33 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -69.89 123.0 12.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.28 -36.23 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.2 mm-40 -61.53 -42.33 98.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -37.65 147.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -97.61 168.12 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 12.6 t -55.82 -50.05 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 11.6 tttt -50.67 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 49.6 mt-10 -40.84 -56.9 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -46.44 -48.7 18.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 10.7 mttt -52.93 -45.72 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.6 -32.22 73.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.82 -56.82 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.633 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 22' ' ' PHE . 13.6 pt -70.05 -26.45 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -47.4 -28.68 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.05 -46.4 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -70.12 -60.12 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 75' ' ' LEU . 31.7 m -60.33 -19.81 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.98 26.96 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 76.0 mt -127.16 141.73 41.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 143.57 29.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 t -48.45 -50.29 31.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.3 -20.06 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -98.0 -27.33 14.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 43.3 mt-30 -84.09 159.32 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 12.0 ttt180 -159.16 81.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 19.8 mt -54.34 130.32 38.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.93 127.28 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -137.37 130.23 30.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 66.12 10.61 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.24 43.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -128.61 124.81 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.52 106.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 66' ' ' TYR . 8.5 mt -52.99 129.13 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.13 143.07 50.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -54.84 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.36 -36.2 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.49 168.08 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -121.2 157.91 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.24 -58.63 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 12.4 tt0 -43.06 -51.79 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.71 -48.29 4.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD2' HD23 ' A' ' 57' ' ' LEU . 51.9 m-85 -75.19 -28.37 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.5 t-20 79.37 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.62 15.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.97 114.36 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.49 55.22 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -90.96 166.3 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.24 113.49 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.465 HD13 ' CG1' ' A' ' 10' ' ' VAL . 5.7 mt -91.2 172.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -124.2 95.37 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -85.84 140.55 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -126.45 142.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.56 132.63 36.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' CG ' HG21 ' A' ' 21' ' ' THR . 51.2 tt0 -92.73 148.24 22.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.0 t -147.87 128.36 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD13 ' N ' ' A' ' 11' ' ' LEU . 7.1 mp -101.26 169.29 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -152.78 117.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -106.96 105.9 16.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.6 p -73.47 -165.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.31 55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -173.82 35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p 40.25 73.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -144.64 84.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -83.11 125.77 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -123.0 120.87 34.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 HG21 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -79.13 138.02 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.442 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' VAL . 62.1 m-85 -133.75 136.15 44.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.35 104.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.97 163.39 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 134.96 45.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -15.91 40.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.69 -25.73 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 51.2 ttm -52.01 141.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.8 p-10 -89.18 169.07 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 26.4 t -56.09 -52.52 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLU . 4.3 ttpt -47.57 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 19.7 mt-10 -38.43 -58.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 38.9 t80 -45.88 -42.96 13.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 19.7 mttt -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.23 -32.47 70.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -67.01 -57.56 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 ' C ' ' N ' ' A' ' 39' ' ' ALA . 26.2 pt -68.49 -32.51 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -31.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -66.13 -57.8 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -62.79 -63.28 1.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 15.9 m -54.67 -32.15 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.65 23.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 66.4 mt -113.79 141.6 26.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 148.09 35.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -65.86 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.41 -12.4 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 10.9 mtpp -113.93 -3.45 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -89.18 162.19 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' CG ' HG23 ' A' ' 56' ' ' VAL . 27.8 ttt180 -162.33 84.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 59.7 mt -64.83 130.29 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mt -136.08 126.53 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' GLY . 58.9 t80 -113.86 121.65 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 68.57 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -175.56 33.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.76 133.77 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' CG ' ' A' ' 49' ' ' ARG . 9.9 p -75.97 111.71 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 66' ' ' TYR . 6.7 mt -61.45 121.66 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -64.54 138.0 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -38.73 90.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -39.72 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 161.06 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -110.44 160.69 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.2 -57.51 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASN . 36.3 tt0 -43.95 -52.23 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -49.58 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CE2' HD23 ' A' ' 57' ' ' LEU . 55.2 m-85 -74.02 -29.49 61.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.2 t-20 81.72 42.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.2 m -88.97 14.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.95 114.26 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.09 5.39 53.13 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -88.8 170.68 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.67 112.24 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 HD12 ' CG1' ' A' ' 10' ' ' VAL . 10.1 mt -91.87 170.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -124.57 99.84 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 4.0 tp -94.43 142.84 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.84 145.83 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -91.65 133.47 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' CG ' HG22 ' A' ' 21' ' ' THR . 41.1 tt0 -88.44 145.57 25.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.6 t -148.1 128.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.1 mp -104.25 169.19 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 69.1 t -155.41 127.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.07 133.18 56.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.4 p -121.96 -174.85 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.28 -47.12 66.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -46.76 -37.24 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 2.9 t 79.12 48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -130.8 82.06 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.409 ' CG2' HD23 ' A' ' 11' ' ' LEU . 67.9 m -48.66 135.31 14.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -127.8 117.37 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.56 136.35 37.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' VAL . 60.2 m-85 -132.97 136.66 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -110.67 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.22 163.28 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.72 122.49 17.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.65 -38.07 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -59.26 -43.01 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.9 ttm -38.89 149.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -105.17 153.34 21.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 63' ' ' LEU . 70.3 t -43.28 -47.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -47.35 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLU . 34.8 mt-10 -51.81 -54.26 30.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 58.9 t80 -44.29 -34.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 6.4 mttm -70.34 -41.71 72.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.4 mt-10 -67.94 -30.19 69.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -68.82 -60.51 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 39' ' ' ALA . 8.7 pt -68.59 -27.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.94 -30.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -73.23 -54.91 7.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -62.33 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.73 -31.11 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.94 26.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 89.2 mt -123.53 141.8 37.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.88 29.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -50.2 -47.01 54.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.21 -18.75 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -98.39 -27.66 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.69 162.33 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' CG ' HG21 ' A' ' 56' ' ' VAL . 46.6 ttt180 -166.66 73.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.0 mt -56.73 127.63 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 mt -135.2 126.35 45.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.468 ' CD2' HG13 ' A' ' 68' ' ' VAL . 1.6 t80 -117.21 121.26 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.3 -65.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.52 34.06 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -137.65 138.09 39.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG21 ' CG ' ' A' ' 49' ' ' ARG . 9.1 p -80.34 111.23 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 66' ' ' TYR . 6.1 mt -63.21 121.9 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -63.65 140.8 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.8 -31.37 71.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.8 -38.34 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.7 mmtt -59.06 169.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -117.3 154.71 30.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.4 -60.16 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -44.94 -45.35 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.59 -56.24 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD2' HD22 ' A' ' 57' ' ' LEU . 55.1 m-85 -67.63 -23.03 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.8 t-20 78.22 44.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 52' ' ' TYR . 31.2 m -93.38 25.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.85 112.11 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.36 8.65 59.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.61 169.17 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.16 119.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.81 175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -127.25 89.9 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 13.5 tp -82.12 152.23 26.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.6 m -150.56 156.22 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -96.07 135.33 38.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.461 ' CG ' HG23 ' A' ' 21' ' ' THR . 34.8 tt0 -91.78 144.39 25.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 58.4 t -144.54 127.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -107.02 157.01 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 22.9 t -141.21 131.44 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -116.18 117.92 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' ASP . 55.9 p -93.16 162.31 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.27 61.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' THR . 33.2 m-20 -163.95 32.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.6 m 39.6 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -166.2 117.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -107.51 138.2 44.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -125.04 168.82 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 9' ' ' GLU . 2.7 m -128.55 131.26 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.79 139.97 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -112.89 104.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.82 163.33 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.53 123.27 9.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.19 -41.16 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 46.3 mt-30 -55.45 -42.42 74.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.0 ttm -36.95 145.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.0 p-10 -99.0 156.74 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 73.2 t -45.42 -53.85 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.64 -62.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CZ ' HG11 ' A' ' 10' ' ' VAL . 51.7 t80 -44.82 -44.25 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 25.1 mttt -58.05 -44.66 87.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.38 -32.1 71.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.01 -57.1 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' C ' ' N ' ' A' ' 39' ' ' ALA . 18.8 pt -68.95 -33.96 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.6 -31.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.41 -58.3 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -63.67 -63.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 31.6 m -52.72 -30.82 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.53 24.07 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 53.0 mt -121.38 141.53 33.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 143.56 29.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLN . 55.9 p -50.97 -55.43 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -48.74 -23.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -96.36 -28.47 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' SER . 55.7 mt-30 -74.36 162.42 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 36.5 ttt180 -166.08 82.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -59.47 138.32 57.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.3 mt -137.77 128.37 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 48.0 t80 -130.48 121.5 25.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 1.9 tm0? 84.78 -39.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.24 -21.39 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 152.59 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.53 146.05 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 66' ' ' TYR . 13.1 mt -86.33 130.02 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.65 121.95 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -40.22 63.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.84 -33.62 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.16 170.95 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.93 156.47 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.85 -59.4 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -41.08 -50.08 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.79 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD2' HD22 ' A' ' 57' ' ' LEU . 65.9 m-85 -68.23 -29.82 68.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.3 t-20 81.69 46.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.58 33.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.11 113.32 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 4.53 56.11 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.07 167.62 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.86 112.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 mt -93.64 168.62 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -120.93 99.38 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 26.2 tp -88.1 148.76 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 28.7 m -130.81 148.77 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' HG21 ' A' ' 21' ' ' THR . 27.5 tt0 -90.61 143.76 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 73' ' ' ILE . 44.3 t -144.76 131.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.8 mp -106.62 169.17 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 72.0 t -157.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -110.16 115.55 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -82.16 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 59.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -173.28 34.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.3 p 39.19 68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -144.42 100.14 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -94.62 140.86 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -137.44 119.91 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.476 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.55 137.82 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CG ' HG22 ' A' ' 37' ' ' ILE . 57.8 m-85 -133.33 138.43 46.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mm -112.28 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.38 163.35 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.98 122.94 9.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.59 -43.37 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.794 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' MET . 41.1 mt-30 -52.58 -45.13 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.7 ttm -37.8 149.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.2 p-10 -101.1 168.33 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 17.8 t -56.28 -59.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -43.25 -57.29 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLU . 8.5 mt-10 -51.01 -59.22 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 45.6 t80 -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' CG1' ' A' ' 30' ' ' VAL . 15.2 mttt -60.28 -43.26 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.3 mt-10 -66.48 -31.39 72.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -71.01 -58.06 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.635 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.489 HG22 ' CG ' ' A' ' 22' ' ' PHE . 8.0 pt -67.99 -27.88 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.4 -29.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.06 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 m -56.84 -58.79 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 31.7 m -62.0 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 71.12 16.04 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mt -112.63 140.39 23.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 18.3 Cg_endo -74.98 148.09 34.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.8 p -55.82 -25.18 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.51 -14.52 62.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HE2' ' CD ' ' A' ' 44' ' ' PRO . 41.5 mtmt -110.35 -25.93 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-30 -70.82 156.8 39.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CG ' HG22 ' A' ' 56' ' ' VAL . 43.1 ttt180 -161.88 74.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 50.9 mt -52.71 131.33 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.412 HD13 ' CG2' ' A' ' 76' ' ' VAL . 25.8 mt -136.79 126.46 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 68' ' ' VAL . 1.7 t80 -117.55 121.56 41.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.34 -64.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.55 34.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.65 144.98 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 49' ' ' ARG . 7.0 p -84.22 108.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' A' ' 66' ' ' TYR . 8.3 mt -57.68 117.2 3.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.7 163.65 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -59.13 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -27.69 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.51 165.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -120.98 155.04 35.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.73 -59.59 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ASN . 13.4 tt0 -42.12 -51.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.19 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' HD21 ' A' ' 57' ' ' LEU . 47.2 m-85 -66.6 -26.27 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER 77.26 42.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 52' ' ' TYR . 31.6 m -88.96 14.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.69 116.03 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.15 9.56 48.65 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -89.81 176.09 6.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -114.45 117.63 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 10' ' ' VAL . 4.0 mt -97.78 174.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -128.36 92.83 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.0 tp -83.04 152.97 25.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' CG2' HD13 ' A' ' 51' ' ' ILE . 28.1 m -142.57 142.91 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -97.98 133.79 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 21' ' ' THR . 37.9 tt0 -90.42 144.6 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 46.8 t -145.73 128.1 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.5 mp -103.07 169.2 8.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 55.7 t -157.27 114.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -104.44 117.44 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -81.94 176.74 9.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.8 56.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.43 35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t 39.62 72.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -145.72 79.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.5 m -78.83 138.93 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -134.09 119.58 19.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.486 HG22 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.8 135.21 37.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . 53.4 m-85 -131.86 140.56 49.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -114.78 104.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.65 163.42 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.22 122.95 10.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.81 -39.03 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' MET . 9.7 mt-30 -56.46 -44.27 80.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.7 ttm -37.54 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.1 p-10 -104.46 175.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 4.0 t -62.7 -56.07 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -58.29 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.0 mt-10 -48.66 -57.29 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 44.5 t80 -44.82 -39.21 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 11.2 mttp -65.76 -38.9 90.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.7 mt-10 -68.31 -33.34 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -68.78 -58.18 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.567 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.425 ' C ' ' N ' ' A' ' 39' ' ' ALA . 17.5 pt -68.38 -28.72 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.32 -31.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -65.22 -58.97 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 30.6 m -55.06 -30.59 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m 71.71 20.69 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 41.5 mt -117.34 141.02 28.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.96 29.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 p -51.42 -48.63 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.95 -18.85 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -102.23 -23.91 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 34' ' ' LYS . 41.4 mt-30 -78.08 158.3 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.493 ' CG ' HG21 ' A' ' 56' ' ' VAL . 36.8 ttt180 -159.73 79.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CB ' HD11 ' A' ' 57' ' ' LEU . 34.4 mt -59.75 141.97 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -139.46 128.28 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 53' ' ' GLN . 59.1 t80 -128.89 120.83 26.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 2.7 mm100 83.5 -37.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.28 -19.75 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 139.66 31.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' CG ' ' A' ' 49' ' ' ARG . 5.8 p -66.8 152.45 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.575 HD22 ' CD2' ' A' ' 66' ' ' TYR . 16.8 mt -95.32 117.45 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -63.33 134.19 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -59.91 4.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.52 -41.88 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 167.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -120.37 153.25 36.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.29 -60.66 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASN . 11.6 tt0 -41.91 -52.65 4.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -49.85 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' HD22 ' A' ' 57' ' ' LEU . 43.2 m-85 -70.35 -29.34 65.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER 81.55 40.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.65 15.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 115.22 7.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.21 6.13 51.96 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -87.63 167.37 13.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.57 110.67 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 10' ' ' VAL . 6.4 mt -89.88 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -121.53 95.42 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 19.2 tp -82.51 150.5 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.22 147.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.51 131.26 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 54.0 tt0 -93.75 148.2 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.566 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.5 t -146.46 130.4 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 11' ' ' LEU . 5.6 mp -104.31 169.26 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 37.3 t -154.9 118.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.88 144.43 32.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -127.09 -175.45 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.7 mm? -56.14 -50.48 71.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -29.12 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.15 60.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -120.19 60.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.9 m -38.83 124.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -124.49 121.07 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.49 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -80.72 136.68 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.3 m-85 -131.4 138.56 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -109.93 105.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' CG1' ' CD2' ' A' ' 36' ' ' HIS . 27.9 m -130.5 163.45 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.74 124.68 18.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.07 -25.44 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.43 -36.2 63.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.6 ttm -38.91 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.6 p-10 -101.63 158.07 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 59' ' ' ASP . 85.5 t -45.7 -53.72 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' CB ' ' HG3' ' A' ' 28' ' ' MET . 33.0 mt-10 -45.79 -55.42 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 54.7 t80 -49.22 -42.18 39.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 23.8 mttt -61.05 -46.07 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.16 -32.54 73.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 83.7 t60 -66.58 -58.0 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 pt -69.5 -30.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.65 -35.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -58.29 -62.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.82 -21.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER 62.95 25.83 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 85.7 mt -120.43 142.42 33.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 143.73 29.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 10.5 p -53.12 -45.67 68.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.03 -17.29 16.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 15.6 mtpt -102.77 -20.53 14.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.41 155.84 28.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' CG ' HG23 ' A' ' 56' ' ' VAL . 37.0 ttt180 -155.58 84.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 75' ' ' LEU . 19.8 mt -67.43 135.33 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.8 mt -137.13 128.59 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 52.1 t80 -126.21 122.05 34.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 2.0 tm0? 81.38 -43.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.58 -26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 150.84 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' CG ' ' A' ' 49' ' ' ARG . 9.8 p -82.59 156.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 66' ' ' TYR . 19.3 mt -98.73 124.51 43.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.95 122.84 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.435 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -52.5 -22.19 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -82.68 -34.88 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.86 171.11 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.17 156.34 25.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.35 -59.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -44.05 -45.12 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -27.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.569 ' CD2' HD23 ' A' ' 57' ' ' LEU . 52.5 m-85 -101.38 -23.82 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 16.8 t30 76.36 49.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 17.0 m -92.83 31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.66 117.84 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.84 8.19 46.82 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -90.05 167.47 12.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.6 109.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.457 HD11 ' CG1' ' A' ' 10' ' ' VAL . 7.4 mt -88.36 170.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -121.06 96.69 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 5.3 tp -90.42 153.22 20.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.32 144.36 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.235 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tt -98.74 134.44 41.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.481 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 65.6 tt0 -86.38 145.55 26.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.599 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 49.7 t -148.43 130.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.1 mp -106.51 169.28 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.8 t -156.05 117.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 109.88 20.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -77.14 -175.46 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -83.24 55.7 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.6 t0 -168.66 34.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 50.3 m 39.17 66.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -138.14 97.43 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -91.23 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -134.41 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.481 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.3 m -79.24 141.94 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 69.2 m-85 -137.72 136.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 mm -112.16 104.26 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.19 163.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.46 121.36 15.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.1 -45.67 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' MET . 37.2 mm-40 -50.71 -44.51 58.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 48.9 ttm -36.18 149.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.0 p-10 -99.77 168.8 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 15.9 t -55.69 -55.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -46.53 -62.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 28.1 mt-10 -44.54 -59.13 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 56.0 t80 -44.13 -42.81 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 19.6 mttt -61.9 -45.93 91.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -60.71 -33.66 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.06 -61.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.635 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 22' ' ' PHE . 8.9 pt -63.34 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -46.55 -25.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -71.93 -58.01 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -59.15 -62.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -58.14 -30.52 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.6 4.72 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 81.6 mt -97.59 142.32 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 143.52 29.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 p -53.18 -46.03 68.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.9 -20.38 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -100.68 -27.49 13.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.21 161.42 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 21.1 ttm105 -163.27 89.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.05 126.86 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.9 mt -132.12 126.2 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE2' HG11 ' A' ' 68' ' ' VAL . 1.6 t80 -117.01 121.18 40.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.46 -63.49 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.6 34.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.83 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' CG2' ' HD3' ' A' ' 49' ' ' ARG . 22.8 t -73.17 103.04 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 66' ' ' TYR . 7.8 mt -52.51 121.48 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -61.04 167.89 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -53.4 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -24.74 47.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 167.25 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.16 157.27 30.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.67 -57.19 13.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -43.36 -48.8 7.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -51.86 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD2' HD21 ' A' ' 57' ' ' LEU . 55.7 m-85 -70.59 -31.56 68.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 5.0 t-20 81.92 45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 52' ' ' TYR . 19.9 m -92.84 31.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.73 110.03 3.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.34 1.36 60.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.86 173.18 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.23 120.14 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.412 HD12 ' CG1' ' A' ' 10' ' ' VAL . 4.3 mt -97.79 175.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -130.61 94.67 3.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -86.08 148.08 25.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 26.9 m -132.02 145.04 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -88.67 132.29 34.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' CG ' HG21 ' A' ' 21' ' ' THR . 29.5 tt0 -91.53 146.36 23.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.529 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 45.1 t -144.53 130.54 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 11' ' ' LEU . 6.6 mp -106.56 155.72 19.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -137.76 132.73 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -115.91 134.56 54.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.3 p -113.76 168.44 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.52 60.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.8 t0 -169.87 33.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 69.8 m 38.58 55.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -128.87 110.77 12.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -109.98 127.95 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -120.91 171.93 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -126.82 136.47 52.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.462 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -132.8 139.51 47.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -112.8 104.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.02 163.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -70.81 123.47 11.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.08 -36.59 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' MET . 1.6 mt-30 -60.54 -42.72 97.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.1 ttm -37.13 148.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.1 p-10 -97.2 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 8.7 t -56.78 -49.12 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 12.4 ttpt -51.52 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 59.2 mt-10 -38.68 -53.92 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 70.3 t80 -52.46 -44.74 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' LYS . 24.3 mttt -57.14 -41.89 79.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.46 -37.3 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -63.03 -50.36 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 39' ' ' ALA . 9.1 pt -74.29 -32.82 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 43' ' ' ILE . . . -44.24 -27.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.5 -57.01 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -65.75 -63.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 33.9 m -53.04 -33.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.15 29.68 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 24.4 mt -126.61 140.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.9 143.16 29.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -54.97 -40.03 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.52 -12.8 35.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 5.4 mtpp -110.37 -23.34 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -74.38 172.6 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' CG ' HG21 ' A' ' 56' ' ' VAL . 41.3 ttt180 -168.7 77.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 39.4 mt -58.46 131.96 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 mt -134.89 126.44 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.6 t80 -109.32 125.03 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 66.63 -68.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -171.33 31.9 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.95 137.68 34.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG21 ' CG ' ' A' ' 49' ' ' ARG . 7.6 p -70.86 149.21 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.59 HD21 ' CD2' ' A' ' 66' ' ' TYR . 24.6 mt -99.66 124.54 44.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -71.6 131.45 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -54.78 -55.69 27.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -40.72 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.52 167.68 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -118.23 159.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -61.15 -57.99 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -45.54 -46.25 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.13 -34.35 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.59 ' CD2' HD21 ' A' ' 57' ' ' LEU . 46.8 m-85 -92.04 -26.72 18.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 77.74 49.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.46 24.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.67 116.54 8.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.5 47.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.35 166.37 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.2 113.38 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.46 HD12 ' CG1' ' A' ' 10' ' ' VAL . 5.4 mt -90.69 172.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -126.21 96.53 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 1.5 tp -87.73 148.7 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.81 144.38 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m 55.53 97.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.01 166.08 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.05 141.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.49 77.65 8.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -138.65 108.35 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.46 173.55 28.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tt -103.77 135.87 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -90.23 139.84 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 66.3 t -141.41 124.67 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 11' ' ' LEU . 5.5 mp -100.82 156.1 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.17 117.65 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -107.21 106.98 17.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 p -72.5 -171.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.58 44.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -161.99 34.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t 42.09 75.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -146.38 85.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 m -82.53 129.47 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -129.61 117.31 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.2 138.56 42.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' VAL . 61.5 m-85 -134.21 139.16 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 mm -112.54 104.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.43 163.29 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.54 122.81 18.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.3 -32.82 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.43 -41.53 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -38.13 148.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.6 p-10 -97.64 170.39 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 11.9 t -58.5 -51.33 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -48.58 -67.6 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 42.8 mt-10 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.502 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 63.9 t80 -41.54 -45.15 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -58.79 -43.14 90.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 26.5 mt-10 -65.99 -32.19 73.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.93 -59.24 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 pt -68.02 -27.4 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -42.93 -30.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.12 -57.28 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -60.8 -62.08 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 16.8 m -54.57 -32.09 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.15 14.49 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 25.0 mt -112.92 140.19 23.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.0 Cg_endo -75.03 145.39 31.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.1 p -49.57 -55.08 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.86 -24.23 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 -27.88 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' SER . 46.1 mt-30 -75.77 170.12 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 23.7 ttt180 -174.35 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 27.5 mt -55.91 127.98 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -124.85 135.82 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -144.09 128.06 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.23 23.9 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.7 22.98 68.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.27 150.5 43.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG21 ' CG ' ' A' ' 49' ' ' ARG . 8.1 p -90.92 110.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 66' ' ' TYR . 7.6 mt -59.68 127.21 30.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -68.72 146.45 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.28 -52.78 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -29.22 63.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 165.17 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -118.76 158.14 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.71 -58.69 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASN . 17.6 tt0 -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -49.11 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' HD23 ' A' ' 57' ' ' LEU . 47.8 m-85 -74.69 -31.59 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 81.47 47.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 73' ' ' ILE . 6.0 m -91.1 18.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.94 120.0 21.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.65 11.18 41.16 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -94.07 166.04 12.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -106.59 110.49 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.472 HD12 ' CG1' ' A' ' 10' ' ' VAL . 10.4 mt -89.69 163.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.42 99.91 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.617 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 3.4 tp -89.68 139.36 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -124.16 143.19 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.13 124.09 49.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 161.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.57 162.63 0.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 146.82 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.64 147.3 27.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -56.42 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 m -63.39 -61.53 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -150.06 124.08 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -156.64 117.04 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.36 -162.1 9.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 p -69.31 157.38 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 m 51.71 86.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.69 168.58 16.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tt -94.54 130.17 41.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.461 ' CG ' HG23 ' A' ' 21' ' ' THR . 26.2 tt0 -89.06 147.83 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.455 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 62.1 t -146.05 131.58 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 4.4 mp -108.38 167.68 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 34.9 t -158.85 130.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -118.97 110.46 17.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 p -78.9 -162.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 15' ' ' LEU . 4.7 mp -91.34 53.07 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.07 26.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m 39.48 62.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 108.47 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -96.41 131.0 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -121.85 126.83 49.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -82.13 136.26 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.5 m-85 -130.82 141.19 50.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -113.0 104.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.28 163.35 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.47 122.21 8.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.58 -41.34 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.7 mt-30 -55.84 -43.86 77.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.9 ttm -37.33 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -100.82 172.87 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 10.5 t -59.39 -53.7 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 1.2 ttpt -48.39 -67.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.5 mt-10 -38.81 -59.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 67.8 t80 -45.2 -48.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 8.4 mttp -54.87 -42.42 72.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.13 -33.45 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.7 -56.67 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' SER . 31.7 pt -68.14 -33.56 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.48 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.55 40.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.6 m -64.53 -63.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 32.8 m -56.4 -25.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.26 28.58 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 81.9 mt -126.4 142.37 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 143.57 29.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.424 1.75 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 p -50.95 -48.82 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -52.99 -27.1 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -92.61 -25.79 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -78.94 166.17 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 51' ' ' ILE . 33.7 ttm180 -165.07 81.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.37 125.28 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 49' ' ' ARG . 15.6 mt -129.55 126.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 53' ' ' GLN . 90.3 t80 -110.83 122.02 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 52' ' ' TYR . 1.6 mm100 67.04 -66.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.67 32.53 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -134.81 136.86 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -81.24 104.59 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.646 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 5.3 mt -51.73 127.0 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.43 137.94 44.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -55.74 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -53.08 -37.33 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -59.31 163.52 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -117.01 153.82 31.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.17 -59.59 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -47.35 -38.47 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.04 -41.71 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.646 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 41.1 m-85 -83.97 -8.8 59.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 61.29 45.1 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG13 ' CB ' ' A' ' 66' ' ' TYR . 29.4 m -89.35 14.29 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.71 121.12 25.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.02 12.06 41.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -94.83 167.44 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -108.27 112.52 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 mt -91.06 172.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -125.81 97.4 5.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.582 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.5 tp -85.79 146.73 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.71 142.53 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -106.08 118.3 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.88 140.61 53.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.59 67.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.431 1.753 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.88 -71.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -123.71 152.88 17.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.63 6.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 t -126.49 -62.7 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.1 p -144.72 103.98 3.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.87 117.82 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.54 148.97 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.06 12.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.29 -56.54 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.56 157.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.16 -138.94 8.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.52 133.97 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CG ' HG21 ' A' ' 21' ' ' THR . 40.5 tt0 -87.96 144.34 26.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PHE . 40.8 t -145.91 128.9 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.13 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 24.5 t -154.86 124.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -114.09 119.39 36.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.3 p -86.66 170.69 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.74 59.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -177.76 36.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.84 72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -143.32 95.52 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -90.36 139.24 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -138.17 117.21 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.61 135.97 37.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' VAL . 58.8 m-85 -133.26 142.3 48.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.21 104.34 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -126.26 163.34 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.57 122.58 14.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.59 -35.71 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 5.3 mt-30 -62.18 -41.98 98.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.3 ttm -37.56 149.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.493 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.8 p-10 -98.03 172.5 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 10.7 t -59.65 -48.9 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 2.0 ttpp -52.59 -66.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 38.6 mt-10 -40.26 -53.88 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -50.65 -43.48 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 11.7 mttt -59.34 -44.98 92.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.15 -33.05 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.09 -57.4 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.4 pt -68.97 -31.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' SER . . . -40.93 -32.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.59 -52.99 25.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ILE . 58.0 m -60.43 -58.87 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.07 -23.99 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 72.8 8.64 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 80.8 mt -105.53 142.09 24.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 143.51 29.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLN . 4.2 t -46.7 -54.14 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.63 -21.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE2' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mtmt -92.4 -28.47 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 48.8 mt-30 -84.87 162.84 19.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.7 ttt180 -162.24 76.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 56.4 mt -50.0 136.37 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.79 126.67 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -123.96 123.75 41.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 67.22 17.59 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.04 81.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.95 129.81 46.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -65.63 139.16 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 66' ' ' TYR . 6.0 mt -88.89 126.29 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.21 141.41 57.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -52.49 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.03 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -55.96 164.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -118.8 156.99 28.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -58.59 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -42.25 -44.22 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -54.29 23.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 57' ' ' LEU . 56.2 m-85 -69.9 -12.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 61.18 46.41 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 66' ' ' TYR . 32.8 m -88.67 11.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.69 118.24 9.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.41 10.39 42.27 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -93.32 166.13 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.2 t -105.81 112.77 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.97 169.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -119.51 96.94 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 4.4 tp -84.24 148.73 26.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.71 142.13 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -112.63 130.21 56.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -69.99 112.52 6.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.64 152.95 78.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 64.68 6.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -129.02 -60.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.94 -131.32 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.9 p -150.24 138.16 20.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.79 94.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 161.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.92 -58.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.74 140.74 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 -57.99 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.73 107.52 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.53 167.5 23.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' CG ' HG21 ' A' ' 21' ' ' THR . 30.4 tt0 -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.556 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.3 t -144.73 129.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.4 mp -102.32 168.99 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 71.9 t -156.57 116.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.12 121.32 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -87.81 179.6 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.56 54.23 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -168.73 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.7 70.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -143.54 90.58 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.3 m -87.95 135.83 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -133.48 120.23 20.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -81.04 135.98 35.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -131.62 139.49 49.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.87 104.33 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.55 163.21 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.2 122.61 15.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.85 -40.09 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.6 mm-40 -56.55 -43.98 80.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.71 146.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -95.84 177.82 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 4.4 t -63.35 -57.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.39 -64.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLU . 19.8 mt-10 -42.22 -59.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 47.8 t80 -45.4 -40.88 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 19.8 mttt -65.13 -35.51 81.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . 37.1 mt-10 -71.51 -35.07 70.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -67.37 -56.29 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.5 -31.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.63 -33.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.21 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -62.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.3 m -60.98 -32.73 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 78.43 14.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 71.6 mt -106.86 141.19 22.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 p -55.94 -44.49 78.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.0 -19.81 14.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -100.82 -25.74 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -71.18 170.88 12.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.439 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 53.4 ttt180 -171.72 76.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -57.38 131.42 50.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -134.14 128.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 66.9 t80 -134.66 121.55 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 87.42 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.36 -17.07 1.68 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.23 133.91 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.12 135.43 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 66' ' ' TYR . 12.2 mt -76.67 126.53 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.48 137.11 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -43.9 98.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -30.23 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -68.95 168.41 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -120.26 155.93 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.99 -60.24 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -44.91 -43.82 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.37 -53.53 21.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 57' ' ' LEU . 50.6 m-85 -70.06 -16.03 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 35.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 26.9 m -81.81 4.6 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.19 41.38 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -94.17 166.21 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -105.32 116.0 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' CG1' ' A' ' 10' ' ' VAL . 4.5 mt -94.42 172.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -125.57 94.74 4.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -87.67 137.25 32.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m -122.41 145.54 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.21 128.21 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.37 169.56 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.13 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -64.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.63 157.91 23.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 78.04 3.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.93 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 t -157.4 122.5 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 141.59 58.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -109.69 130.5 55.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.24 -135.02 4.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.17 -57.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.22 127.3 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.58 164.7 23.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.43 134.29 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.4 tt0 -91.87 145.73 24.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.1 t -146.24 129.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.7 mp -105.67 169.12 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 25.6 t -156.71 125.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 137.15 52.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 p -120.12 178.94 4.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -25.83 62.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -16.86 62.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.98 71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.048 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -149.02 64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.8 m -38.76 135.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -130.22 117.6 20.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.488 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.29 135.62 37.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.1 m-85 -132.04 138.37 48.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mm -111.0 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.0 m -128.02 163.29 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.75 123.19 9.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.02 -38.57 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -57.65 -43.89 85.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 54.4 ttm -38.19 147.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.1 p-10 -98.24 166.41 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 20.9 t -54.58 -53.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -46.08 -60.78 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLU . 32.8 mt-10 -49.01 -57.95 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 59.8 t80 -44.74 -38.24 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ALA . 4.2 mttm -66.53 -38.7 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 30.8 mt-10 -70.94 -33.67 70.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.52 -49.45 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 pt -77.04 -29.34 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.71 -35.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.77 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -62.0 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 26.9 m -53.58 -31.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.84 16.56 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 69.6 mt -116.54 141.19 27.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 144.04 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -54.72 -37.09 65.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.03 -12.38 54.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -111.15 -17.37 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -81.75 165.05 21.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' NE ' HD11 ' A' ' 51' ' ' ILE . 49.8 ttt180 -166.23 87.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 21.8 mt -67.07 136.41 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD11 ' NE ' ' A' ' 49' ' ' ARG . 36.5 mt -137.54 127.83 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 40.4 t80 -134.66 122.96 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 86.33 -37.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.35 -18.25 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 134.4 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 p -65.26 142.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 66' ' ' TYR . 10.5 mt -81.58 131.28 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 142.71 49.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -47.15 68.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -16.93 63.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.04 169.17 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -120.44 158.05 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.51 -58.54 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' ASN . 37.6 tt0 -41.32 -52.57 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -58.72 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CD2' HD23 ' A' ' 57' ' ' LEU . 60.5 m-85 -65.22 -28.41 69.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER 79.88 46.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 32.6 m -91.68 20.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.82 116.43 9.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.27 10.15 46.28 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -93.03 169.68 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -107.0 121.71 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.6 mt -99.36 172.01 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -124.62 93.47 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.571 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -87.04 140.3 29.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.01 143.33 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.41 123.42 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 131.2 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 66.33 160.55 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.53 163.32 28.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -170.71 97.3 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.88 19.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -162.8 160.55 25.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.7 p -157.35 109.53 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.93 128.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 p -125.27 -61.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.82 136.11 3.65 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -86.85 -57.29 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -108.83 82.37 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.77 175.27 21.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -99.88 133.05 44.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -87.53 139.21 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.2 t -140.69 126.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -104.65 152.22 22.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 67.8 t -137.33 131.71 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -111.4 146.37 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.0 p -114.01 -169.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.38 -22.78 43.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -89.14 8.97 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t 55.92 65.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -129.11 85.85 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.248 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -70.07 130.31 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -128.19 123.62 34.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 132.34 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -129.36 142.37 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 mm -115.57 104.31 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.77 163.42 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.33 122.21 9.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.89 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 44.3 mm-40 -55.37 -44.11 75.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.3 ttm -37.23 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.2 p-10 -98.05 169.54 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 16.8 t -55.87 -49.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 3.2 ttmt -51.31 -67.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 37.4 mt-10 -38.92 -54.78 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 29.5 t80 -49.36 -47.61 47.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 17.9 mttt -53.25 -45.17 68.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.76 -33.91 76.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -65.58 -56.88 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 39' ' ' ALA . 36.8 pt -69.68 -32.8 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 43' ' ' ILE . . . -40.73 -30.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -72.26 -58.3 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.3 m -62.08 -54.93 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 27.7 m -63.62 -30.93 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 32.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 23.0 mt -129.51 139.89 37.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 144.23 29.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 p -54.68 -38.95 67.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.59 -15.37 51.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -107.16 -27.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.58 162.88 27.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' CG ' HG23 ' A' ' 56' ' ' VAL . 4.9 ttm180 -169.15 76.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CB ' HD11 ' A' ' 57' ' ' LEU . 44.8 mt -50.14 139.09 14.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -132.27 131.16 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -135.59 122.89 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 63.45 29.52 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.42 67.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -131.24 127.8 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 49' ' ' ARG . 4.1 p -71.75 113.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 66' ' ' TYR . 7.4 mt -63.24 140.88 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.22 137.49 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -47.66 83.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -34.84 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 169.71 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -122.08 157.04 32.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.84 -59.3 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -42.98 -42.84 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -45.53 70.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.569 ' CD2' HD23 ' A' ' 57' ' ' LEU . 48.4 m-85 -77.89 -9.95 59.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 61.5 47.31 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 66' ' ' TYR . 13.1 m -94.85 26.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.5 104.86 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.71 -11.73 58.59 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -72.13 165.94 23.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.39 110.64 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.46 HD11 ' CG1' ' A' ' 10' ' ' VAL . 7.9 mt -87.8 166.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -119.55 99.26 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 9.2 tp -82.47 155.04 24.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.19 142.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -119.0 124.29 46.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.94 152.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.26 106.19 0.54 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -167.75 -60.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.9 -160.82 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 60.08 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.69 -59.99 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.39 -58.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -41.71 153.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 130.0 38.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.25 114.05 0.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 94.72 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 t -144.56 83.33 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.32 26.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -98.15 134.83 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -87.03 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 45.9 t -140.44 130.71 28.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.7 mp -106.18 163.82 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 37.5 t -150.76 116.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -110.79 110.68 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -75.73 -171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 3.4 mp -87.87 61.11 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.6 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -145.46 89.96 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -86.05 144.44 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -135.57 117.19 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -78.34 134.34 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -133.25 140.64 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mm -113.75 104.16 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.06 163.42 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.27 121.47 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -50.27 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 mm-40 -45.47 -43.58 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.9 ttm -36.93 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -103.26 163.92 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG21 ' CD1' ' A' ' 63' ' ' LEU . 37.8 t -51.11 -54.03 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -47.91 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 27.9 mt-10 -45.39 -57.65 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 65.0 t80 -46.12 -39.02 8.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -65.13 -46.77 79.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.83 -34.04 72.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.55 -62.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.3 pt -61.89 -28.31 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.52 -37.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -63.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -57.96 -62.12 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 27.8 m -54.96 -30.55 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 68.37 19.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 97.7 mt -114.69 142.45 28.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 142.99 28.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.808 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -56.71 -19.81 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -75.88 -30.15 58.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -94.78 -15.71 23.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.83 168.8 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 2.0 ttm105 -178.81 76.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 29.3 mt -55.17 138.47 44.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 56' ' ' VAL . 41.8 mt -138.44 126.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 53' ' ' GLN . 89.5 t80 -111.26 122.25 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 67.4 mt-30 68.09 -66.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.29 32.59 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -137.08 136.25 38.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG2' HG12 ' A' ' 51' ' ' ILE . 42.8 t -80.5 111.78 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.628 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 3.8 mt -58.82 125.89 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 144.66 51.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -55.67 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -29.41 57.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.34 163.28 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -118.3 156.24 29.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.95 -58.84 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -43.98 -41.56 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -49.6 60.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.628 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 52.8 m-85 -77.36 -11.96 59.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.06 51.79 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 21.7 m -97.0 25.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.64 104.61 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.4 45.61 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -68.27 166.43 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -106.99 114.09 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 10' ' ' VAL . 5.6 mt -90.86 170.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -123.4 96.1 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 4.9 tp -81.71 153.41 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 36.0 m -138.56 143.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -118.88 129.59 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -67.78 160.96 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.78 159.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -51.57 107.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.33 -148.92 50.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.02 5.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 127.29 32.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 m 60.3 111.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -166.28 141.23 4.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 0.76 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 113.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.75 74.75 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.18 151.07 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 p -59.07 139.07 57.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.44 141.46 3.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -90.46 133.58 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 53.4 tt0 -88.13 146.56 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 48.8 t -149.14 129.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.64 164.96 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 42.5 t -150.26 127.59 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.81 152.58 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.0 p -124.71 -167.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -21.89 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.53 6.23 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 t 58.04 42.21 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.71 98.0 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -86.43 128.79 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -126.25 129.95 49.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.489 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.2 m -83.69 140.58 32.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 10' ' ' VAL . 62.8 m-85 -134.28 137.07 43.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.83 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.8 163.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.16 123.16 9.28 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.43 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 28' ' ' MET . 6.2 mt-30 -55.1 -43.69 74.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.3 ttm -37.24 154.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -108.13 161.05 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.3 t -50.86 -56.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -43.91 -54.65 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 72.4 t80 -46.18 -36.43 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' ALA . 9.6 mttm -64.11 -47.25 80.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.56 -38.18 86.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.51 -51.24 70.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' C ' ' N ' ' A' ' 39' ' ' ALA . 36.1 pt -73.4 -31.3 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -40.74 -31.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.38 -54.55 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.1 m -66.41 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.6 m -54.7 -31.04 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.16 20.61 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 85.6 mt -116.93 141.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.97 144.14 30.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -52.7 -41.75 64.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.39 -14.04 24.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 -16.75 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -76.98 165.79 24.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 56' ' ' VAL . 63.6 ttt180 -168.59 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 60.3 mt -57.11 133.41 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 mt -136.33 126.21 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 68' ' ' VAL . 32.4 t80 -115.24 121.86 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.3 -65.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.23 33.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -139.45 142.18 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 49' ' ' ARG . 9.9 p -80.19 123.66 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 66' ' ' TYR . 8.6 mt -76.08 113.44 13.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.43 157.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 -21.89 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.59 167.79 21.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -113.7 155.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.75 -58.33 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.42 -54.93 14.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' HD21 ' A' ' 57' ' ' LEU . 69.4 m-85 -68.5 -14.51 63.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.08 49.43 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 52' ' ' TYR . 34.5 m -92.66 25.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.51 114.16 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.76 6.77 52.75 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -89.28 167.72 12.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.02 118.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 mt -95.56 172.4 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -125.62 91.56 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.554 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 4.0 tp -84.44 147.72 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.25 143.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.2 127.51 55.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.08 161.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.83 62.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 94.39 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 t -79.07 106.07 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 93.13 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -149.72 110.02 4.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.4 p -130.59 117.36 19.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -158.93 162.74 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.81 165.21 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.75 -80.22 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -62.59 129.62 41.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -66.7 109.43 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.39 172.73 22.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.44 139.76 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' CG ' HG21 ' A' ' 21' ' ' THR . 18.2 tt0 -93.98 144.61 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.552 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 58.2 t -145.75 129.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -107.0 165.52 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 37.4 t -150.13 116.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -104.0 112.5 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.0 p -81.06 172.67 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.96 57.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.17 35.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.31 74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -150.73 88.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -85.56 138.12 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -132.89 117.95 18.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -77.12 137.82 39.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.3 m-85 -133.61 143.69 48.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mm -116.32 104.21 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.42 ' CG1' ' CD2' ' A' ' 36' ' ' HIS . 26.9 m -128.02 163.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.44 122.62 15.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.14 -37.51 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' MET . 34.9 mt-30 -59.92 -42.33 93.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.1 ttm -37.02 145.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.5 p-10 -96.65 165.86 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 17.4 t -53.66 -48.35 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -51.66 -67.58 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -39.74 -55.8 1.85 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 52.0 t80 -46.62 -48.27 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 32.3 mttt -52.89 -45.4 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.45 -32.2 73.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 81.2 t60 -67.79 -57.4 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.424 ' C ' ' N ' ' A' ' 39' ' ' ALA . 28.6 pt -68.95 -33.25 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -41.02 -30.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.74 -55.14 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -66.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 33.4 m -54.03 -28.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 26.79 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 33.3 mt -124.29 141.04 36.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.1 143.61 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 p -52.91 -44.02 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.21 -15.59 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -106.37 -23.17 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 55.5 mt-30 -80.03 159.42 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 33.3 ttt180 -157.88 85.28 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 53.3 mt -63.5 124.89 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 HD12 ' NE ' ' A' ' 49' ' ' ARG . 7.8 mt -129.22 126.4 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -114.71 121.37 43.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 69.27 -63.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.04 34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.98 131.82 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG22 ' NE ' ' A' ' 49' ' ' ARG . 11.4 p -75.49 108.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD23 ' CD2' ' A' ' 66' ' ' TYR . 8.0 mt -55.91 124.42 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.49 142.95 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -63.31 -55.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -51.35 -39.91 58.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -58.85 166.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -120.17 157.13 29.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.68 -59.13 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASN . 42.5 tt0 -42.88 -54.27 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.01 -50.18 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.584 ' CD2' HD23 ' A' ' 57' ' ' LEU . 45.3 m-85 -71.85 -32.42 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.1 t30 81.53 47.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.54 17.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.12 114.48 6.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.17 6.26 52.45 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -88.93 167.1 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -107.86 113.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.0 mt -91.99 171.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -124.6 96.88 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 48' ' ' GLN . 7.3 tp -89.72 145.31 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 33.7 m -132.27 148.67 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -117.65 124.47 48.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 171.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 68.92 153.57 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.38 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 m -113.33 -59.19 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.45 -178.13 38.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.03 37.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 t -127.73 131.98 49.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -61.67 116.82 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.08 149.81 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.65 149.12 46.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.25 96.09 2.04 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -170.65 153.8 4.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 110.034 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.03 155.66 23.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.58 -174.9 44.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -92.36 135.18 34.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.481 ' CG ' HG22 ' A' ' 21' ' ' THR . 33.2 tt0 -90.1 144.58 25.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 51.2 t -145.65 128.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.2 mp -104.05 169.15 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 38.0 t -155.85 116.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -109.45 106.53 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.8 p -70.43 -173.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.72 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.33 28.16 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t 45.47 69.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.17 81.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.8 m -76.28 133.62 40.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -132.4 117.37 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.59 135.15 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.6 m-85 -132.25 140.55 48.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mm -114.13 104.37 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.56 163.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.3 121.69 13.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.01 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' MET . 54.5 mt-30 -52.88 -42.64 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.4 ttm -36.87 153.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 1.8 p-10 -106.96 160.25 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 51.1 t -48.4 -52.95 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -49.28 -61.15 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -48.29 -53.04 18.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 76.8 t80 -51.13 -44.56 61.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' CG1' ' A' ' 30' ' ' VAL . 8.0 mttp -54.82 -54.5 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -58.97 -57.12 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' SER . 36.2 pt -67.81 -31.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -42.0 -29.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.59 -51.75 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.9 m -70.95 -63.45 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 28.1 m -53.25 -32.09 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.68 20.03 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 14.9 mt -117.32 139.96 26.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.92 144.87 31.08 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -50.91 -50.42 57.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.4 -20.65 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -98.61 -27.7 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -80.93 162.76 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.3 ttm180 -165.28 78.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 72.3 mt -51.37 134.49 28.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.86 126.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' GLY . 61.2 t80 -109.96 122.57 47.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' TYR . 46.3 mm-40 66.33 -68.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.2 32.18 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -134.02 133.56 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -75.75 116.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 66' ' ' TYR . 4.6 mt -67.46 121.9 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -59.99 125.77 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -24.52 43.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -32.89 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.1 mmtp -63.12 166.66 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -114.47 155.0 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -60.04 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -42.71 -41.54 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -53.84 38.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' HD23 ' A' ' 57' ' ' LEU . 58.9 m-85 -72.7 -7.06 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.52 49.08 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 33.4 m -91.96 20.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.1 113.04 5.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.46 55.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -86.16 169.27 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -109.57 115.7 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' CG1' ' A' ' 10' ' ' VAL . 3.9 mt -95.12 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -125.99 92.45 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 4.4 tp -81.3 147.81 29.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -128.36 144.94 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -113.44 119.25 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.06 134.23 56.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 61.44 105.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.06 4.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 t -151.45 136.43 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.98 98.86 0.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 145.47 31.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -114.69 118.91 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.1 p -103.76 122.68 45.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m 63.4 133.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -165.52 120.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.03 179.0 31.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -145.67 -57.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -99.77 127.48 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.56 -173.86 36.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -87.3 135.74 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' HG21 ' A' ' 21' ' ' THR . 31.9 tt0 -92.65 145.69 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 56.8 t -145.58 131.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.1 mp -107.22 169.42 8.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 70.3 t -155.63 118.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -105.75 134.95 48.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -101.75 -177.4 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.39 45.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.29 32.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 m 43.18 78.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -156.2 84.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -90.16 138.76 31.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -130.13 169.83 14.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.473 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -122.89 136.5 54.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' HG22 ' A' ' 37' ' ' ILE . 65.6 m-85 -132.11 137.81 47.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.1 mm -112.52 104.3 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.66 163.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.61 122.44 9.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.65 -43.9 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 30.9 mt-30 -52.7 -44.59 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.22 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.1 p-10 -100.63 168.49 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 13.4 t -56.1 -56.32 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 -61.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLU . 24.7 mt-10 -47.08 -59.67 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 56.4 t80 -43.86 -44.06 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 15.9 mttm -58.52 -41.78 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' GLU . 39.2 mt-10 -67.95 -32.38 72.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.72 -57.62 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 22' ' ' PHE . 22.5 pt -70.3 -29.54 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.3 -31.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.98 -56.23 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 m -63.15 -60.36 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.8 m -59.36 -24.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t 65.09 25.41 12.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 91.8 mt -118.7 142.34 31.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.91 143.22 29.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -58.57 -18.33 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.48 -31.3 47.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -93.65 -16.47 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.97 160.7 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' CG ' HG22 ' A' ' 56' ' ' VAL . 77.6 ttt180 -163.84 75.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 44.2 mt -61.3 126.67 28.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.54 126.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 54' ' ' GLY . 90.3 t80 -111.67 126.8 55.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 66.71 -67.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.47 32.41 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -139.3 134.1 32.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' CG ' ' A' ' 49' ' ' ARG . 9.8 p -73.23 106.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.636 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 7.1 mt -49.82 116.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -63.83 142.72 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -57.31 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -34.74 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -61.01 163.68 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -118.59 155.86 30.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.59 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -43.81 -47.95 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -53.57 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.636 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 40.1 m-85 -68.61 -26.86 65.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 1.8 t30 80.22 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.7 m -93.02 27.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.76 110.34 3.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.64 5.11 55.47 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -84.86 172.06 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.66 116.35 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' A' ' 10' ' ' VAL . 5.0 mt -94.84 173.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.63 95.66 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 9.3 tp -86.67 150.65 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.98 143.11 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 78' ' ' ARG . 2.6 tt0 -114.88 137.96 51.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -64.09 -175.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.42 154.63 62.68 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.55 3.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.412 1.743 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.0 p -126.69 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -155.83 97.9 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.4 9.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 t -105.92 102.6 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 p -74.66 124.59 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.4 70.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.81 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -107.08 0.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.1 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.55 107.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m 59.55 74.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.94 137.15 13.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -91.41 131.39 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 21' ' ' THR . 48.8 tt0 -88.76 149.02 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 73' ' ' ILE . 42.7 t -148.76 126.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mp -102.24 156.42 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.64 116.89 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -109.07 114.64 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -81.46 -165.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.8 48.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.92 30.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t 43.38 65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.94 87.27 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -85.18 134.62 34.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -131.89 119.74 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -78.23 134.1 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CD2' HG22 ' A' ' 37' ' ' ILE . 52.4 m-85 -131.4 139.42 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -112.2 104.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.9 m -126.18 163.33 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -69.89 123.0 12.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.28 -36.23 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.2 mm-40 -61.53 -42.33 98.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -37.65 147.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -97.61 168.12 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 12.6 t -55.82 -50.05 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 11.6 tttt -50.67 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 49.6 mt-10 -40.84 -56.9 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -46.44 -48.7 18.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 10.7 mttt -52.93 -45.72 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.6 -32.22 73.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.82 -56.82 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.633 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 22' ' ' PHE . 13.6 pt -70.05 -26.45 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -47.4 -28.68 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.05 -46.4 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -70.12 -60.12 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 75' ' ' LEU . 31.7 m -60.33 -19.81 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.98 26.96 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 76.0 mt -127.16 141.73 41.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 143.57 29.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 t -48.45 -50.29 31.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.3 -20.06 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -98.0 -27.33 14.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 43.3 mt-30 -84.09 159.32 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 12.0 ttt180 -159.16 81.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 19.8 mt -54.34 130.32 38.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.93 127.28 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -137.37 130.23 30.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 66.12 10.61 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.24 43.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -128.61 124.81 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.52 106.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 66' ' ' TYR . 8.5 mt -52.99 129.13 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.13 143.07 50.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -54.84 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.36 -36.2 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.49 168.08 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -121.2 157.91 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.24 -58.63 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 12.4 tt0 -43.06 -51.79 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.71 -48.29 4.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD2' HD23 ' A' ' 57' ' ' LEU . 51.9 m-85 -75.19 -28.37 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.5 t-20 79.37 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.62 15.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.97 114.36 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.49 55.22 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -90.96 166.3 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.24 113.49 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.465 HD13 ' CG1' ' A' ' 10' ' ' VAL . 5.7 mt -91.2 172.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -124.2 95.37 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -85.84 140.55 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -126.45 142.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -110.8 133.53 53.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -49.06 108.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.07 152.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.03 4.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 p -138.64 155.33 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.46 132.34 10.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 84' ' ' SER . 18.2 Cg_endo -74.97 65.58 6.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.3 OUTLIER 43.46 92.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -130.8 85.63 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.57 144.89 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -160.3 124.05 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 148.37 17.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.69 -56.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 78.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.21 177.19 18.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tt -91.56 132.63 36.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' CG ' HG21 ' A' ' 21' ' ' THR . 51.2 tt0 -92.73 148.24 22.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.0 t -147.87 128.36 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD13 ' N ' ' A' ' 11' ' ' LEU . 7.1 mp -101.26 169.29 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -152.78 117.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -106.96 105.9 16.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.6 p -73.47 -165.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.31 55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -173.82 35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p 40.25 73.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -144.64 84.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -83.11 125.77 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -123.0 120.87 34.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 HG21 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -79.13 138.02 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.442 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' VAL . 62.1 m-85 -133.75 136.15 44.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.35 104.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.97 163.39 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 134.96 45.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -15.91 40.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.69 -25.73 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 51.2 ttm -52.01 141.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.8 p-10 -89.18 169.07 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 26.4 t -56.09 -52.52 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLU . 4.3 ttpt -47.57 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 19.7 mt-10 -38.43 -58.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 38.9 t80 -45.88 -42.96 13.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 19.7 mttt -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.23 -32.47 70.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -67.01 -57.56 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 ' C ' ' N ' ' A' ' 39' ' ' ALA . 26.2 pt -68.49 -32.51 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -31.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -66.13 -57.8 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -62.79 -63.28 1.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 15.9 m -54.67 -32.15 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.65 23.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 66.4 mt -113.79 141.6 26.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 148.09 35.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -65.86 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.41 -12.4 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 10.9 mtpp -113.93 -3.45 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -89.18 162.19 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' CG ' HG23 ' A' ' 56' ' ' VAL . 27.8 ttt180 -162.33 84.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 59.7 mt -64.83 130.29 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mt -136.08 126.53 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' GLY . 58.9 t80 -113.86 121.65 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 68.57 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -175.56 33.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.76 133.77 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' CG ' ' A' ' 49' ' ' ARG . 9.9 p -75.97 111.71 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 66' ' ' TYR . 6.7 mt -61.45 121.66 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -64.54 138.0 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -38.73 90.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -39.72 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 161.06 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -110.44 160.69 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.2 -57.51 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASN . 36.3 tt0 -43.95 -52.23 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -49.58 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CE2' HD23 ' A' ' 57' ' ' LEU . 55.2 m-85 -74.02 -29.49 61.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.2 t-20 81.72 42.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.2 m -88.97 14.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.95 114.26 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.09 5.39 53.13 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -88.8 170.68 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.67 112.24 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 HD12 ' CG1' ' A' ' 10' ' ' VAL . 10.1 mt -91.87 170.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -124.57 99.84 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 4.0 tp -94.43 142.84 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.84 145.83 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.62 137.06 47.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -64.56 168.16 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.29 155.04 49.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 151.76 40.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 t -162.34 137.77 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.053 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 44.3 -161.12 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.04 130.76 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.75 124.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.1 101.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.72 110.73 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.48 173.44 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.88 86.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.92 103.81 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.87 -158.7 28.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -91.65 133.47 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' CG ' HG22 ' A' ' 21' ' ' THR . 41.1 tt0 -88.44 145.57 25.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.6 t -148.1 128.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.1 mp -104.25 169.19 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 69.1 t -155.41 127.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.07 133.18 56.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.4 p -121.96 -174.85 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.28 -47.12 66.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -46.76 -37.24 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 2.9 t 79.12 48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -130.8 82.06 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.409 ' CG2' HD23 ' A' ' 11' ' ' LEU . 67.9 m -48.66 135.31 14.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -127.8 117.37 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.56 136.35 37.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' VAL . 60.2 m-85 -132.97 136.66 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -110.67 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.22 163.28 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.72 122.49 17.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.65 -38.07 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -59.26 -43.01 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.9 ttm -38.89 149.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -105.17 153.34 21.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 63' ' ' LEU . 70.3 t -43.28 -47.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -47.35 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLU . 34.8 mt-10 -51.81 -54.26 30.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 58.9 t80 -44.29 -34.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 6.4 mttm -70.34 -41.71 72.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.4 mt-10 -67.94 -30.19 69.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -68.82 -60.51 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 39' ' ' ALA . 8.7 pt -68.59 -27.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.94 -30.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -73.23 -54.91 7.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -62.33 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.73 -31.11 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.94 26.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 89.2 mt -123.53 141.8 37.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.88 29.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -50.2 -47.01 54.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.21 -18.75 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -98.39 -27.66 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -67.69 162.33 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' CG ' HG21 ' A' ' 56' ' ' VAL . 46.6 ttt180 -166.66 73.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.0 mt -56.73 127.63 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 mt -135.2 126.35 45.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.468 ' CD2' HG13 ' A' ' 68' ' ' VAL . 1.6 t80 -117.21 121.26 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.3 -65.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.52 34.06 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -137.65 138.09 39.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG21 ' CG ' ' A' ' 49' ' ' ARG . 9.1 p -80.34 111.23 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 66' ' ' TYR . 6.1 mt -63.21 121.9 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -63.65 140.8 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.8 -31.37 71.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.8 -38.34 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.7 mmtt -59.06 169.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -117.3 154.71 30.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.4 -60.16 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -44.94 -45.35 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.59 -56.24 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD2' HD22 ' A' ' 57' ' ' LEU . 55.1 m-85 -67.63 -23.03 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.8 t-20 78.22 44.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 52' ' ' TYR . 31.2 m -93.38 25.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.85 112.11 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.36 8.65 59.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.61 169.17 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.16 119.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.81 175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -127.25 89.9 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 13.5 tp -82.12 152.23 26.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.6 m -150.56 156.22 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.64 105.95 14.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 47.59 -175.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.66 155.38 66.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.08 26.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.5 p 40.57 89.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.0 72.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.17 31.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.5 p -144.01 169.0 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m 60.48 -93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t 43.61 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -163.76 150.85 12.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.54 106.47 1.88 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -176.9 -58.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -149.67 163.28 38.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.12 160.5 8.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -96.07 135.33 38.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.461 ' CG ' HG23 ' A' ' 21' ' ' THR . 34.8 tt0 -91.78 144.39 25.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 58.4 t -144.54 127.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -107.02 157.01 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 22.9 t -141.21 131.44 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -116.18 117.92 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' ASP . 55.9 p -93.16 162.31 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.27 61.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' THR . 33.2 m-20 -163.95 32.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.6 m 39.6 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -166.2 117.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -107.51 138.2 44.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -125.04 168.82 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 9' ' ' GLU . 2.7 m -128.55 131.26 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.79 139.97 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -112.89 104.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.82 163.33 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.53 123.27 9.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.19 -41.16 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 46.3 mt-30 -55.45 -42.42 74.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.0 ttm -36.95 145.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.0 p-10 -99.0 156.74 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 73.2 t -45.42 -53.85 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.64 -62.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CZ ' HG11 ' A' ' 10' ' ' VAL . 51.7 t80 -44.82 -44.25 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 25.1 mttt -58.05 -44.66 87.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.38 -32.1 71.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.01 -57.1 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' C ' ' N ' ' A' ' 39' ' ' ALA . 18.8 pt -68.95 -33.96 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.6 -31.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.41 -58.3 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -63.67 -63.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 31.6 m -52.72 -30.82 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.53 24.07 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 53.0 mt -121.38 141.53 33.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 143.56 29.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLN . 55.9 p -50.97 -55.43 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -48.74 -23.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -96.36 -28.47 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' SER . 55.7 mt-30 -74.36 162.42 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 36.5 ttt180 -166.08 82.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -59.47 138.32 57.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.3 mt -137.77 128.37 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 48.0 t80 -130.48 121.5 25.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 1.9 tm0? 84.78 -39.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.24 -21.39 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 152.59 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.53 146.05 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 66' ' ' TYR . 13.1 mt -86.33 130.02 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.65 121.95 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -40.22 63.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.84 -33.62 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.16 170.95 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.93 156.47 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.85 -59.4 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -41.08 -50.08 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.79 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD2' HD22 ' A' ' 57' ' ' LEU . 65.9 m-85 -68.23 -29.82 68.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.3 t-20 81.69 46.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.58 33.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.11 113.32 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 4.53 56.11 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.07 167.62 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.86 112.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 mt -93.64 168.62 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -120.93 99.38 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 26.2 tp -88.1 148.76 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 28.7 m -130.81 148.77 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -125.26 120.82 32.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -48.18 143.53 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.96 154.38 49.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.235 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 71.91 4.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.93 -55.72 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.35 97.37 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -131.36 161.05 33.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -60.47 103.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.34 122.87 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.79 109.23 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.53 -125.11 8.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p 47.88 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -53.48 133.33 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.26 169.07 37.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' HG21 ' A' ' 21' ' ' THR . 27.5 tt0 -90.61 143.76 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 73' ' ' ILE . 44.3 t -144.76 131.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.8 mp -106.62 169.17 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 72.0 t -157.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -110.16 115.55 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -82.16 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 59.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -173.28 34.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.3 p 39.19 68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -144.42 100.14 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -94.62 140.86 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -137.44 119.91 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.476 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.55 137.82 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CG ' HG22 ' A' ' 37' ' ' ILE . 57.8 m-85 -133.33 138.43 46.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mm -112.28 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.7 m -126.38 163.35 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.98 122.94 9.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.59 -43.37 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.794 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' MET . 41.1 mt-30 -52.58 -45.13 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.7 ttm -37.8 149.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.2 p-10 -101.1 168.33 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' CG1' ' HE3' ' A' ' 34' ' ' LYS . 17.8 t -56.28 -59.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -43.25 -57.29 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLU . 8.5 mt-10 -51.01 -59.22 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 45.6 t80 -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HE3' ' CG1' ' A' ' 30' ' ' VAL . 15.2 mttt -60.28 -43.26 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.3 mt-10 -66.48 -31.39 72.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -71.01 -58.06 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.635 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.489 HG22 ' CG ' ' A' ' 22' ' ' PHE . 8.0 pt -67.99 -27.88 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.4 -29.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.06 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 m -56.84 -58.79 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 31.7 m -62.0 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 71.12 16.04 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mt -112.63 140.39 23.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 18.3 Cg_endo -74.98 148.09 34.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.8 p -55.82 -25.18 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.51 -14.52 62.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HE2' ' CD ' ' A' ' 44' ' ' PRO . 41.5 mtmt -110.35 -25.93 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-30 -70.82 156.8 39.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CG ' HG22 ' A' ' 56' ' ' VAL . 43.1 ttt180 -161.88 74.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 50.9 mt -52.71 131.33 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.412 HD13 ' CG2' ' A' ' 76' ' ' VAL . 25.8 mt -136.79 126.46 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 68' ' ' VAL . 1.7 t80 -117.55 121.56 41.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.34 -64.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.55 34.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.65 144.98 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 49' ' ' ARG . 7.0 p -84.22 108.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' A' ' 66' ' ' TYR . 8.3 mt -57.68 117.2 3.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.7 163.65 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -59.13 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -27.69 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.51 165.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -120.98 155.04 35.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.73 -59.59 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ASN . 13.4 tt0 -42.12 -51.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.19 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' HD21 ' A' ' 57' ' ' LEU . 47.2 m-85 -66.6 -26.27 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER 77.26 42.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 52' ' ' TYR . 31.6 m -88.96 14.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.69 116.03 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.15 9.56 48.65 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -89.81 176.09 6.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -114.45 117.63 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 10' ' ' VAL . 4.0 mt -97.78 174.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -128.36 92.83 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.0 tp -83.04 152.97 25.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' CG2' HD13 ' A' ' 51' ' ' ILE . 28.1 m -142.57 142.91 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -113.75 133.8 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 131.17 43.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.25 118.13 62.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 70.0 5.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.6 155.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.88 -79.99 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 66.41 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.61 161.1 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -43.57 141.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -152.37 -57.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.72 153.01 43.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 -156.89 8.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.64 113.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.63 80.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.15 177.43 20.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -97.98 133.79 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 21' ' ' THR . 37.9 tt0 -90.42 144.6 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 46.8 t -145.73 128.1 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.5 mp -103.07 169.2 8.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 11' ' ' LEU . 55.7 t -157.27 114.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -104.44 117.44 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -81.94 176.74 9.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.8 56.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.43 35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t 39.62 72.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -145.72 79.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.5 m -78.83 138.93 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -134.09 119.58 19.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.486 HG22 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.8 135.21 37.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . 53.4 m-85 -131.86 140.56 49.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -114.78 104.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.65 163.42 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.22 122.95 10.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.81 -39.03 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' MET . 9.7 mt-30 -56.46 -44.27 80.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.7 ttm -37.54 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.1 p-10 -104.46 175.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 4.0 t -62.7 -56.07 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -58.29 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.0 mt-10 -48.66 -57.29 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 44.5 t80 -44.82 -39.21 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 11.2 mttp -65.76 -38.9 90.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.7 mt-10 -68.31 -33.34 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -68.78 -58.18 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.567 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.425 ' C ' ' N ' ' A' ' 39' ' ' ALA . 17.5 pt -68.38 -28.72 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.32 -31.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -65.22 -58.97 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 30.6 m -55.06 -30.59 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m 71.71 20.69 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 41.5 mt -117.34 141.02 28.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.96 29.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 p -51.42 -48.63 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.95 -18.85 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -102.23 -23.91 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 34' ' ' LYS . 41.4 mt-30 -78.08 158.3 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' CG ' HG21 ' A' ' 56' ' ' VAL . 36.8 ttt180 -159.73 79.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CB ' HD11 ' A' ' 57' ' ' LEU . 34.4 mt -59.75 141.97 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -139.46 128.28 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 53' ' ' GLN . 59.1 t80 -128.89 120.83 26.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 2.7 mm100 83.5 -37.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.28 -19.75 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 139.66 31.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' CG ' ' A' ' 49' ' ' ARG . 5.8 p -66.8 152.45 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.575 HD22 ' CD2' ' A' ' 66' ' ' TYR . 16.8 mt -95.32 117.45 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -63.33 134.19 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -59.91 4.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.52 -41.88 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 167.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -120.37 153.25 36.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.29 -60.66 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASN . 11.6 tt0 -41.91 -52.65 4.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -49.85 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' HD22 ' A' ' 57' ' ' LEU . 43.2 m-85 -70.35 -29.34 65.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER 81.55 40.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.65 15.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 115.22 7.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.21 6.13 51.96 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -87.63 167.37 13.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.57 110.67 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 10' ' ' VAL . 6.4 mt -89.88 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -121.53 95.42 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 19.2 tp -82.51 150.5 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.22 147.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.55 122.26 42.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -48.15 140.46 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.05 155.39 55.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.76 5.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.51 79.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.71 157.29 20.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' SER . 18.2 Cg_endo -74.97 -27.93 9.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t 49.09 -93.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.0 t -110.13 -58.87 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.34 78.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t 61.63 123.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.74 92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -170.26 109.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -45.78 166.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.01 166.25 15.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tt -96.51 131.26 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 54.0 tt0 -93.75 148.2 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.566 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.5 t -146.46 130.4 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 11' ' ' LEU . 5.6 mp -104.31 169.26 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 37.3 t -154.9 118.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.88 144.43 32.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -127.09 -175.45 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.7 mm? -56.14 -50.48 71.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -29.12 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.15 60.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -120.19 60.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.9 m -38.83 124.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -124.49 121.07 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -80.72 136.68 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.3 m-85 -131.4 138.56 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -109.93 105.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' CG1' ' CD2' ' A' ' 36' ' ' HIS . 27.9 m -130.5 163.45 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.74 124.68 18.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.07 -25.44 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.43 -36.2 63.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.6 ttm -38.91 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.6 p-10 -101.63 158.07 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 59' ' ' ASP . 85.5 t -45.7 -53.72 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' CB ' ' HG3' ' A' ' 28' ' ' MET . 33.0 mt-10 -45.79 -55.42 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 54.7 t80 -49.22 -42.18 39.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 23.8 mttt -61.05 -46.07 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.16 -32.54 73.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 83.7 t60 -66.58 -58.0 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 pt -69.5 -30.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . -40.65 -35.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -58.29 -62.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.5 m -58.82 -21.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER 62.95 25.83 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 85.7 mt -120.43 142.42 33.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 143.73 29.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 10.5 p -53.12 -45.67 68.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.03 -17.29 16.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 15.6 mtpt -102.77 -20.53 14.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.41 155.84 28.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' CG ' HG23 ' A' ' 56' ' ' VAL . 37.0 ttt180 -155.58 84.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 75' ' ' LEU . 19.8 mt -67.43 135.33 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.8 mt -137.13 128.59 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 52.1 t80 -126.21 122.05 34.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 2.0 tm0? 81.38 -43.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.58 -26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 150.84 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' CG ' ' A' ' 49' ' ' ARG . 9.8 p -82.59 156.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 66' ' ' TYR . 19.3 mt -98.73 124.51 43.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.95 122.84 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.435 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -52.5 -22.19 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -82.68 -34.88 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.86 171.11 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.17 156.34 25.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.35 -59.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -44.05 -45.12 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -27.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.569 ' CD2' HD23 ' A' ' 57' ' ' LEU . 52.5 m-85 -101.38 -23.82 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 16.8 t30 76.36 49.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 17.0 m -92.83 31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.66 117.84 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.84 8.19 46.82 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -90.05 167.47 12.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.6 109.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.457 HD11 ' CG1' ' A' ' 10' ' ' VAL . 7.4 mt -88.36 170.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -121.06 96.69 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 5.3 tp -90.42 153.22 20.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.32 144.36 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.36 129.21 56.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -41.15 144.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.5 154.41 78.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 79.51 2.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.6 t -153.22 135.06 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.04 157.3 33.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.81 19.63 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -58.7 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.7 m 57.49 165.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -172.74 -58.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -88.64 169.49 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.5 139.71 5.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.148 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 59.85 156.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -48.63 121.59 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.9 163.48 33.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tt -98.74 134.44 41.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.481 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 65.6 tt0 -86.38 145.55 26.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.599 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 49.7 t -148.43 130.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 7.1 mp -106.51 169.28 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.8 t -156.05 117.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 109.88 20.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -77.14 -175.46 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -83.24 55.7 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.6 t0 -168.66 34.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 50.3 m 39.17 66.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -138.14 97.43 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -91.23 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -134.41 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.481 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.3 m -79.24 141.94 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 69.2 m-85 -137.72 136.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 mm -112.16 104.26 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.19 163.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.46 121.36 15.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.1 -45.67 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' MET . 37.2 mm-40 -50.71 -44.51 58.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 48.9 ttm -36.18 149.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.0 p-10 -99.77 168.8 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 15.9 t -55.69 -55.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -46.53 -62.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 28.1 mt-10 -44.54 -59.13 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 56.0 t80 -44.13 -42.81 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' ALA . 19.6 mttt -61.9 -45.93 91.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -60.71 -33.66 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.06 -61.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.635 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 22' ' ' PHE . 8.9 pt -63.34 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -46.55 -25.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -71.93 -58.01 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -59.15 -62.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -58.14 -30.52 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.6 4.72 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 81.6 mt -97.59 142.32 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 143.52 29.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 p -53.18 -46.03 68.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.9 -20.38 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -100.68 -27.49 13.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.21 161.42 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 21.1 ttm105 -163.27 89.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.05 126.86 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.9 mt -132.12 126.2 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE2' HG11 ' A' ' 68' ' ' VAL . 1.6 t80 -117.01 121.18 40.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.46 -63.49 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.6 34.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.83 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' CG2' ' HD3' ' A' ' 49' ' ' ARG . 22.8 t -73.17 103.04 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 66' ' ' TYR . 7.8 mt -52.51 121.48 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -61.04 167.89 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -53.4 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -24.74 47.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 167.25 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.16 157.27 30.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.67 -57.19 13.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -43.36 -48.8 7.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -51.86 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD2' HD21 ' A' ' 57' ' ' LEU . 55.7 m-85 -70.59 -31.56 68.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 5.0 t-20 81.92 45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 52' ' ' TYR . 19.9 m -92.84 31.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.73 110.03 3.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.34 1.36 60.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.86 173.18 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.23 120.14 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.412 HD12 ' CG1' ' A' ' 10' ' ' VAL . 4.3 mt -97.79 175.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -130.61 94.67 3.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -86.08 148.08 25.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 26.9 m -132.02 145.04 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -111.3 124.22 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -52.47 153.56 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.32 153.78 43.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.08 7.62 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -133.98 91.54 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.39 -153.06 24.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.98 109.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -66.96 150.07 49.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.12 -58.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -81.36 166.82 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.976 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.54 118.86 6.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.22 158.42 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -64.93 -56.02 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 155.27 0.12 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -88.67 132.29 34.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' CG ' HG21 ' A' ' 21' ' ' THR . 29.5 tt0 -91.53 146.36 23.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.529 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 45.1 t -144.53 130.54 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 11' ' ' LEU . 6.6 mp -106.56 155.72 19.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -137.76 132.73 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -115.91 134.56 54.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.3 p -113.76 168.44 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.52 60.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.8 t0 -169.87 33.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 69.8 m 38.58 55.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -128.87 110.77 12.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -109.98 127.95 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -120.91 171.93 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 HG21 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -126.82 136.47 52.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.462 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -132.8 139.51 47.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -112.8 104.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.02 163.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -70.81 123.47 11.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.08 -36.59 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' MET . 1.6 mt-30 -60.54 -42.72 97.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.1 ttm -37.13 148.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.1 p-10 -97.2 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 8.7 t -56.78 -49.12 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 12.4 ttpt -51.52 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 59.2 mt-10 -38.68 -53.92 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 70.3 t80 -52.46 -44.74 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' LYS . 24.3 mttt -57.14 -41.89 79.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.46 -37.3 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -63.03 -50.36 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.427 ' C ' ' N ' ' A' ' 39' ' ' ALA . 9.1 pt -74.29 -32.82 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 43' ' ' ILE . . . -44.24 -27.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.5 -57.01 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -65.75 -63.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 38' ' ' ALA . 33.9 m -53.04 -33.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.15 29.68 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 24.4 mt -126.61 140.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.9 143.16 29.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -54.97 -40.03 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.52 -12.8 35.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 5.4 mtpp -110.37 -23.34 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -74.38 172.6 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' CG ' HG21 ' A' ' 56' ' ' VAL . 41.3 ttt180 -168.7 77.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 39.4 mt -58.46 131.96 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 mt -134.89 126.44 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.6 t80 -109.32 125.03 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 66.63 -68.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -171.33 31.9 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.95 137.68 34.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG21 ' CG ' ' A' ' 49' ' ' ARG . 7.6 p -70.86 149.21 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.59 HD21 ' CD2' ' A' ' 66' ' ' TYR . 24.6 mt -99.66 124.54 44.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -71.6 131.45 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -54.78 -55.69 27.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -40.72 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.52 167.68 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -118.23 159.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -61.15 -57.99 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -45.54 -46.25 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.13 -34.35 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.59 ' CD2' HD21 ' A' ' 57' ' ' LEU . 46.8 m-85 -92.04 -26.72 18.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 77.74 49.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.46 24.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.67 116.54 8.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.5 47.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.35 166.37 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.2 113.38 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.46 HD12 ' CG1' ' A' ' 10' ' ' VAL . 5.4 mt -90.69 172.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -126.21 96.53 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 1.5 tp -87.73 148.7 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -141.81 144.38 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.69 125.06 51.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.75 158.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.65 105.53 38.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 87.28 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 t 45.09 85.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.98 132.37 1.47 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.81 6.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 t -160.18 89.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.54 -59.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.078 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 10' ' ' VAL . 1.5 tt -103.77 135.87 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.664 ' HG3' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -90.23 139.84 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 HD23 ' A' ' 8' ' ' LEU . 66.3 t -141.41 124.67 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.5 mp -100.82 156.1 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.17 117.65 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -107.21 106.98 17.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 p -72.5 -171.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.58 44.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -161.99 34.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t 42.09 75.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -146.38 85.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 m -82.53 129.47 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -129.61 117.31 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -75.2 138.56 42.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' VAL . 61.5 m-85 -134.21 139.16 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 mm -112.54 104.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.8 m -126.43 163.29 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.54 122.81 18.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.3 -32.82 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.43 -41.53 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -38.13 148.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.6 p-10 -97.64 170.39 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' HD11 ' A' ' 63' ' ' LEU . 11.9 t -58.5 -51.33 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -48.58 -67.6 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 42.8 mt-10 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HD2' HD11 ' A' ' 50' ' ' LEU . 63.9 t80 -41.54 -45.15 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -58.79 -43.14 90.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 26.5 mt-10 -65.99 -32.19 73.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.93 -59.24 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.8 pt -68.02 -27.4 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -42.93 -30.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.12 -57.28 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -60.8 -62.08 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 37' ' ' ILE . 16.8 m -54.57 -32.09 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.15 14.49 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 41' ' ' VAL . 25.0 mt -112.92 140.19 23.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.0 Cg_endo -75.03 145.39 31.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.1 p -49.57 -55.08 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.86 -24.23 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 -27.88 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' SER . 46.1 mt-30 -75.77 170.12 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 23.7 ttt180 -174.35 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 27.5 mt -55.91 127.98 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -124.85 135.82 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -144.09 128.06 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.23 23.9 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.7 22.98 68.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.27 150.5 43.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 56' ' ' VAL . 8.1 p -90.92 110.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.6 mt -59.68 127.21 30.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -68.72 146.45 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.28 -52.78 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -29.22 63.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 165.17 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -118.76 158.14 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.71 -58.69 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASN . 17.6 tt0 -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -49.11 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 47.8 m-85 -74.69 -31.59 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 81.47 47.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 73' ' ' ILE . 6.0 m -91.1 18.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.94 120.0 21.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.65 11.18 41.16 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -94.07 166.04 12.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -106.59 110.49 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 10' ' ' VAL . 10.4 mt -89.69 163.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.42 99.91 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.617 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 49' ' ' ARG . 3.4 tp -89.68 139.36 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -124.16 143.19 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 4.5 tt -94.54 130.17 41.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.537 ' CG ' HG23 ' A' ' 21' ' ' THR . 26.2 tt0 -89.06 147.83 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.502 HG13 HD11 ' A' ' 73' ' ' ILE . 62.1 t -146.05 131.58 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.4 mp -108.38 167.68 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 11' ' ' LEU . 34.9 t -158.85 130.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -118.97 110.46 17.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 p -78.9 -162.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.7 mp -91.34 53.07 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.07 26.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m 39.48 62.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 108.47 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -96.41 131.0 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -121.85 126.83 49.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.537 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -82.13 136.26 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.5 m-85 -130.82 141.19 50.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -113.0 104.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.9 m -126.28 163.35 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.47 122.21 8.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.58 -41.34 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.7 mt-30 -55.84 -43.86 77.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.9 ttm -37.33 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -100.82 172.87 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.584 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.5 t -59.39 -53.7 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 1.2 ttpt -48.39 -67.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.5 mt-10 -38.81 -59.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 24' ' ' VAL . 67.8 t80 -45.2 -48.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 8.4 mttp -54.87 -42.42 72.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.13 -33.45 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -68.7 -56.67 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.7 pt -68.14 -33.56 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.48 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.55 40.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.6 m -64.53 -63.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 ' H ' ' A' ' 43' ' ' ILE . 32.8 m -56.4 -25.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.26 28.58 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.702 HG23 ' HD2' ' A' ' 44' ' ' PRO . 81.9 mt -126.4 142.37 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.702 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 143.57 29.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.424 1.75 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 p -50.95 -48.82 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -52.99 -27.1 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -92.61 -25.79 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' OE1' HG21 ' A' ' 41' ' ' VAL . 42.5 mt-30 -78.94 166.17 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' HG3' HG23 ' A' ' 56' ' ' VAL . 33.7 ttm180 -165.07 81.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' CB ' HD12 ' A' ' 57' ' ' LEU . 37.9 mt -60.37 125.28 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.502 HD11 ' HG2' ' A' ' 49' ' ' ARG . 15.6 mt -129.55 126.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 53' ' ' GLN . 90.3 t80 -110.83 122.02 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 52' ' ' TYR . 1.6 mm100 67.04 -66.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.67 32.53 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -134.81 136.86 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 49' ' ' ARG . 4.5 p -81.24 104.59 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.844 HD22 ' CD2' ' A' ' 66' ' ' TYR . 5.3 mt -51.73 127.0 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.43 137.94 44.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -55.74 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -53.08 -37.33 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -59.31 163.52 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -117.01 153.82 31.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.783 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.17 -59.59 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -47.35 -38.47 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.04 -41.71 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.844 ' CD2' HD22 ' A' ' 57' ' ' LEU . 41.1 m-85 -83.97 -8.8 59.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 61.29 45.1 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 66' ' ' TYR . 29.4 m -89.35 14.29 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.71 121.12 25.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.02 12.06 41.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -94.83 167.44 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -108.27 112.52 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.2 mt -91.06 172.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.586 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.2 m-70 -125.81 97.4 5.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.582 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.5 tp -85.79 146.73 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.0 m -140.71 142.53 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.6 tt -91.52 133.97 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.481 ' CG ' HG23 ' A' ' 21' ' ' THR . 40.5 tt0 -87.96 144.34 26.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.511 ' CG2' HD23 ' A' ' 8' ' ' LEU . 40.8 t -145.91 128.9 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.3 mp -103.13 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 75' ' ' LEU . 24.5 t -154.86 124.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -114.09 119.39 36.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.3 p -86.66 170.69 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.74 59.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -177.76 36.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.84 72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -143.32 95.52 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -90.36 139.24 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -138.17 117.21 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.61 135.97 37.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' VAL . 58.8 m-85 -133.26 142.3 48.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.21 104.34 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 33' ' ' PHE . 29.0 m -126.26 163.34 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.57 122.58 14.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.59 -35.71 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 5.3 mt-30 -62.18 -41.98 98.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.3 ttm -37.56 149.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.493 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.8 p-10 -98.03 172.5 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.576 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.7 t -59.65 -48.9 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 2.0 ttpp -52.59 -66.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 38.6 mt-10 -40.26 -53.88 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 24' ' ' VAL . 54.0 t80 -50.65 -43.48 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.7 mttt -59.34 -44.98 92.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.15 -33.05 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -67.09 -57.4 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -68.97 -31.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.93 -32.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.59 -52.99 25.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ILE . 58.0 m -60.43 -58.87 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.1 m -65.07 -23.99 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 72.8 8.64 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.806 ' H ' HG23 ' A' ' 41' ' ' VAL . 80.8 mt -105.53 142.09 24.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 143.51 29.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLN . 4.2 t -46.7 -54.14 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.63 -21.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE2' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mtmt -92.4 -28.47 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.552 ' OE1' HG21 ' A' ' 41' ' ' VAL . 48.8 mt-30 -84.87 162.84 19.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 56' ' ' VAL . 2.7 ttt180 -162.24 76.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.791 ' CB ' HD12 ' A' ' 57' ' ' LEU . 56.4 mt -50.0 136.37 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.79 126.67 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CB ' HD21 ' A' ' 57' ' ' LEU . 54.1 t80 -123.96 123.75 41.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 67.22 17.59 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.04 81.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.95 129.81 46.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 49' ' ' ARG . 4.7 p -65.63 139.16 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 50' ' ' LEU . 6.0 mt -88.89 126.29 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.21 141.41 57.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -52.49 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.03 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -55.96 164.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -118.8 156.99 28.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -58.59 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -42.25 -44.22 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -54.29 23.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 57' ' ' LEU . 56.2 m-85 -69.9 -12.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 61.18 46.41 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 66' ' ' TYR . 32.8 m -88.67 11.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.69 118.24 9.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.41 10.39 42.27 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -93.32 166.13 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.2 t -105.81 112.77 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.6 mt -91.97 169.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 90.8 m-70 -119.51 96.94 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -84.24 148.73 26.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.71 142.13 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.76 ' HG3' HD13 ' A' ' 43' ' ' ILE . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 10' ' ' VAL . 3.9 tt -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 21' ' ' THR . 30.4 tt0 -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.556 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.3 t -144.73 129.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 mp -102.32 168.99 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.545 HG13 ' HB3' ' A' ' 75' ' ' LEU . 71.9 t -156.57 116.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.12 121.32 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -87.81 179.6 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.56 54.23 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -168.73 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.7 70.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -143.54 90.58 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 11' ' ' LEU . 75.3 m -87.95 135.83 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -133.48 120.23 20.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -81.04 135.98 35.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 61.7 m-85 -131.62 139.49 49.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.87 104.33 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.55 163.21 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.2 122.61 15.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.85 -40.09 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.6 mm-40 -56.55 -43.98 80.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.71 146.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -95.84 177.82 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.545 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.4 t -63.35 -57.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.39 -64.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLU . 19.8 mt-10 -42.22 -59.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CD1' HG21 ' A' ' 24' ' ' VAL . 47.8 t80 -45.4 -40.88 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.796 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.8 mttt -65.13 -35.51 81.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . 37.1 mt-10 -71.51 -35.07 70.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -67.37 -56.29 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.755 ' O ' HG22 ' A' ' 41' ' ' VAL . 14.3 pt -68.5 -31.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.63 -33.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.21 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -62.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.3 m -60.98 -32.73 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 78.43 14.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.704 ' H ' HG23 ' A' ' 41' ' ' VAL . 71.6 mt -106.86 141.19 22.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 p -55.94 -44.49 78.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.0 -19.81 14.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -100.82 -25.74 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -71.18 170.88 12.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 53.4 ttt180 -171.72 76.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.86 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.4 mt -57.38 131.42 50.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -134.14 128.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 66.9 t80 -134.66 121.55 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 87.42 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.36 -17.07 1.68 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.23 133.91 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.12 135.43 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' LEU . 12.2 mt -76.67 126.53 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.48 137.11 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -43.9 98.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -30.23 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -68.95 168.41 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -120.26 155.93 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.99 -60.24 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -44.91 -43.82 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.37 -53.53 21.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.6 m-85 -70.06 -16.03 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 35.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 26.9 m -81.81 4.6 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.19 41.38 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -94.17 166.21 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -105.32 116.0 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.5 mt -94.42 172.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 55.2 m-70 -125.57 94.74 4.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -87.67 137.25 32.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m -122.41 145.54 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.582 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.6 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 10' ' ' VAL . 2.4 tt -96.43 134.29 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.4 tt0 -91.87 145.73 24.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.1 t -146.24 129.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mp -105.67 169.12 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 11' ' ' LEU . 25.6 t -156.71 125.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 137.15 52.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 p -120.12 178.94 4.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -25.83 62.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -16.86 62.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.98 71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.048 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -149.02 64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.434 ' CG2' HD23 ' A' ' 11' ' ' LEU . 87.8 m -38.76 135.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -130.22 117.6 20.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.29 135.62 37.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.1 m-85 -132.04 138.37 48.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mm -111.0 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -128.02 163.29 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.75 123.19 9.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.02 -38.57 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -57.65 -43.89 85.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 54.4 ttm -38.19 147.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.1 p-10 -98.24 166.41 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 34' ' ' LYS . 20.9 t -54.58 -53.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -46.08 -60.78 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLU . 32.8 mt-10 -49.01 -57.95 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 59.8 t80 -44.74 -38.24 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.76 ' HD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mttm -66.53 -38.7 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 30.8 mt-10 -70.94 -33.67 70.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -67.52 -49.45 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.834 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.2 pt -77.04 -29.34 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.71 -35.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.77 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -62.0 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.853 HG23 ' H ' ' A' ' 43' ' ' ILE . 26.9 m -53.58 -31.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.84 16.56 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.853 ' H ' HG23 ' A' ' 41' ' ' VAL . 69.6 mt -116.54 141.19 27.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 144.04 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -54.72 -37.09 65.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.03 -12.38 54.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -111.15 -17.37 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.511 ' OE1' HD11 ' A' ' 37' ' ' ILE . 41.8 mt-30 -81.75 165.05 21.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' HG2' HG23 ' A' ' 56' ' ' VAL . 49.8 ttt180 -166.23 87.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.827 ' CB ' HD12 ' A' ' 57' ' ' LEU . 21.8 mt -67.07 136.41 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' NE ' ' A' ' 49' ' ' ARG . 36.5 mt -137.54 127.83 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 40.4 t80 -134.66 122.96 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 86.33 -37.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.35 -18.25 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 134.4 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.7 p -65.26 142.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 50' ' ' LEU . 10.5 mt -81.58 131.28 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 142.71 49.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -47.15 68.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -16.93 63.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.04 169.17 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -120.44 158.05 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.51 -58.54 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' ASN . 37.6 tt0 -41.32 -52.57 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -58.72 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 57' ' ' LEU . 60.5 m-85 -65.22 -28.41 69.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER 79.88 46.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 32.6 m -91.68 20.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.82 116.43 9.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.27 10.15 46.28 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -93.03 169.68 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -107.0 121.71 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.6 mt -99.36 172.01 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' H ' HG22 ' A' ' 73' ' ' ILE . 84.4 m-70 -124.62 93.47 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -87.04 140.3 29.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.612 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -129.01 143.33 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.1 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.7 tt -99.88 133.05 44.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 23' ' ' ILE . 33.5 tt0 -87.53 139.21 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.592 HG13 HD11 ' A' ' 73' ' ' ILE . 47.2 t -140.69 126.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -104.65 152.22 22.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 67.8 t -137.33 131.71 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -111.4 146.37 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.0 p -114.01 -169.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.38 -22.78 43.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -89.14 8.97 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t 55.92 65.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -129.11 85.85 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.248 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -70.07 130.31 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 33.3 mtt180 -128.19 123.62 34.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 132.34 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -129.36 142.37 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 11.0 mm -115.57 104.31 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.593 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.77 163.42 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.33 122.21 9.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.89 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 44.3 mm-40 -55.37 -44.11 75.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.3 ttm -37.23 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.2 p-10 -98.05 169.54 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' HD11 ' A' ' 63' ' ' LEU . 16.8 t -55.87 -49.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 3.2 ttmt -51.31 -67.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 37.4 mt-10 -38.92 -54.78 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' HG21 ' A' ' 24' ' ' VAL . 29.5 t80 -49.36 -47.61 47.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 17.9 mttt -53.25 -45.17 68.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.76 -33.91 76.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -65.58 -56.88 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.8 pt -69.68 -32.8 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -30.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -72.26 -58.3 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.3 m -62.08 -54.93 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 37' ' ' ILE . 27.7 m -63.62 -30.93 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 32.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.596 ' H ' HG23 ' A' ' 41' ' ' VAL . 23.0 mt -129.51 139.89 37.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 144.23 29.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 p -54.68 -38.95 67.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.59 -15.37 51.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -107.16 -27.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.58 162.88 27.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 56' ' ' VAL . 4.9 ttm180 -169.15 76.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.763 ' CB ' HD12 ' A' ' 57' ' ' LEU . 44.8 mt -50.14 139.09 14.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -132.27 131.16 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -135.59 122.89 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 63.45 29.52 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.42 67.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -131.24 127.8 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 56' ' ' VAL . 4.1 p -71.75 113.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.763 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.4 mt -63.24 140.88 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.22 137.49 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -47.66 83.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -34.84 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 169.71 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -122.08 157.04 32.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.84 -59.3 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -42.98 -42.84 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -45.53 70.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.613 ' CE1' HD23 ' A' ' 57' ' ' LEU . 48.4 m-85 -77.89 -9.95 59.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 61.5 47.31 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 66' ' ' TYR . 13.1 m -94.85 26.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.5 104.86 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.71 -11.73 58.59 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -72.13 165.94 23.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.39 110.64 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 10' ' ' VAL . 7.9 mt -87.8 166.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 73' ' ' ILE . 74.5 m80 -119.55 99.26 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' ' 76' ' ' VAL . 9.2 tp -82.47 155.04 24.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.5 m -141.19 142.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HB2' HD13 ' A' ' 43' ' ' ILE . 9.1 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.0 tt -98.15 134.83 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' HD13 ' A' ' 23' ' ' ILE . 57.4 tt0 -87.03 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.614 HG13 HD11 ' A' ' 73' ' ' ILE . 45.9 t -140.44 130.71 28.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.7 mp -106.18 163.82 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.5 t -150.76 116.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -110.79 110.68 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -75.73 -171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.4 mp -87.87 61.11 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.6 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -145.46 89.96 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -86.05 144.44 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -135.57 117.19 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -78.34 134.34 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -133.25 140.64 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' GLU . 9.6 mm -113.75 104.16 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -127.06 163.42 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.27 121.47 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -50.27 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 mm-40 -45.47 -43.58 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.9 ttm -36.93 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -103.26 163.92 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG12 ' HD2' ' A' ' 34' ' ' LYS . 37.8 t -51.11 -54.03 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -47.91 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 27.9 mt-10 -45.39 -57.65 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.61 ' CD1' HG21 ' A' ' 24' ' ' VAL . 65.0 t80 -46.12 -39.02 8.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HD2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -65.13 -46.77 79.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 27.2 mt-10 -59.83 -34.04 72.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.55 -62.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.86 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.3 pt -61.89 -28.31 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.52 -37.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -63.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -57.96 -62.12 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG23 ' H ' ' A' ' 43' ' ' ILE . 27.8 m -54.96 -30.55 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 68.37 19.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.9 ' H ' HG23 ' A' ' 41' ' ' VAL . 97.7 mt -114.69 142.45 28.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 142.99 28.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.808 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -56.71 -19.81 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -75.88 -30.15 58.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -94.78 -15.71 23.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 37' ' ' ILE . 43.4 mt-30 -79.83 168.8 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 2.0 ttm105 -178.81 76.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 57' ' ' LEU . 29.3 mt -55.17 138.47 44.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.681 HG12 HG22 ' A' ' 56' ' ' VAL . 41.8 mt -138.44 126.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 53' ' ' GLN . 89.5 t80 -111.26 122.25 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 67.4 mt-30 68.09 -66.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.29 32.59 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -137.08 136.25 38.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 51' ' ' ILE . 42.8 t -80.5 111.78 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 66' ' ' TYR . 3.8 mt -58.82 125.89 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 144.66 51.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -55.67 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -29.41 57.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.34 163.28 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -118.3 156.24 29.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.95 -58.84 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -43.98 -41.56 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -49.6 60.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.8 m-85 -77.36 -11.96 59.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.06 51.79 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 21.7 m -97.0 25.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.64 104.61 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.4 45.61 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -68.27 166.43 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -106.99 114.09 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 HG13 ' A' ' 10' ' ' VAL . 5.6 mt -90.86 170.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.51 ' H ' HG22 ' A' ' 73' ' ' ILE . 78.9 m-70 -123.4 96.1 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.9 tp -81.71 153.41 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 36.0 m -138.56 143.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD23 HG23 ' A' ' 10' ' ' VAL . 2.7 tt -90.46 133.58 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 53.4 tt0 -88.13 146.56 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 73' ' ' ILE . 48.8 t -149.14 129.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -106.64 164.96 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 75' ' ' LEU . 42.5 t -150.26 127.59 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.81 152.58 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.0 p -124.71 -167.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -21.89 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.53 6.23 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 t 58.04 42.21 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.71 98.0 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -86.43 128.79 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -126.25 129.95 49.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.489 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.2 m -83.69 140.58 32.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 10' ' ' VAL . 62.8 m-85 -134.28 137.07 43.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.83 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -127.8 163.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.16 123.16 9.28 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.43 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 28' ' ' MET . 6.2 mt-30 -55.1 -43.69 74.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.3 ttm -37.24 154.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -108.13 161.05 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 50' ' ' LEU . 46.3 t -50.86 -56.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -43.91 -54.65 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' HG21 ' A' ' 24' ' ' VAL . 72.4 t80 -46.18 -36.43 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 30' ' ' VAL . 9.6 mttm -64.11 -47.25 80.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.7 mt-10 -61.56 -38.18 86.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.51 -51.24 70.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.823 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.1 pt -73.4 -31.3 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -40.74 -31.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.38 -54.55 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.1 m -66.41 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -54.7 -31.04 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.16 20.61 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.764 ' H ' HG23 ' A' ' 41' ' ' VAL . 85.6 mt -116.93 141.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.97 144.14 30.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -52.7 -41.75 64.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.39 -14.04 24.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 -16.75 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' OE1' HD11 ' A' ' 37' ' ' ILE . 72.3 mt-30 -76.98 165.79 24.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB3' HG23 ' A' ' 76' ' ' VAL . 63.6 ttt180 -168.59 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.72 HD12 HG13 ' A' ' 30' ' ' VAL . 60.3 mt -57.11 133.41 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 26.2 mt -136.33 126.21 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 68' ' ' VAL . 32.4 t80 -115.24 121.86 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.3 -65.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.23 33.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.6 mtt180 -139.45 142.18 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 123.66 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.773 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.6 mt -76.08 113.44 13.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.43 157.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 -21.89 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.59 167.79 21.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -113.7 155.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.75 -58.33 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.42 -54.93 14.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.773 ' CE1' HD23 ' A' ' 57' ' ' LEU . 69.4 m-85 -68.5 -14.51 63.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.08 49.43 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 52' ' ' TYR . 34.5 m -92.66 25.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.51 114.16 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.76 6.77 52.75 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -89.28 167.72 12.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.02 118.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.3 mt -95.56 172.4 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.4 m-70 -125.62 91.56 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.554 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -84.44 147.72 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.428 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.9 m -137.25 143.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -97.44 139.76 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.491 ' CG ' HG23 ' A' ' 21' ' ' THR . 18.2 tt0 -93.98 144.61 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.583 HG13 HD11 ' A' ' 73' ' ' ILE . 58.2 t -145.75 129.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -107.0 165.52 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.4 t -150.13 116.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -104.0 112.5 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.0 p -81.06 172.67 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.96 57.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.17 35.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.31 74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -150.73 88.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -85.56 138.12 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -132.89 117.95 18.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -77.12 137.82 39.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.3 m-85 -133.61 143.69 48.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mm -116.32 104.21 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -128.02 163.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.44 122.62 15.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.14 -37.51 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' MET . 34.9 mt-30 -59.92 -42.33 93.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.1 ttm -37.02 145.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.5 p-10 -96.65 165.86 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.602 ' HA ' HD11 ' A' ' 63' ' ' LEU . 17.4 t -53.66 -48.35 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -51.66 -67.58 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -39.74 -55.8 1.85 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 50' ' ' LEU . 52.0 t80 -46.62 -48.27 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 32.3 mttt -52.89 -45.4 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.45 -32.2 73.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -67.79 -57.4 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 41' ' ' VAL . 28.6 pt -68.95 -33.25 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -41.02 -30.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.74 -55.14 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -66.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.4 m -54.03 -28.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 26.79 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.729 ' H ' HG23 ' A' ' 41' ' ' VAL . 33.3 mt -124.29 141.04 36.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.1 143.61 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 p -52.91 -44.02 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.21 -15.59 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -106.37 -23.17 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 55.5 mt-30 -80.03 159.42 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 56' ' ' VAL . 33.3 ttt180 -157.88 85.28 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.764 ' CB ' HD12 ' A' ' 57' ' ' LEU . 53.3 mt -63.5 124.89 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.22 126.4 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -114.71 121.37 43.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 69.27 -63.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.04 34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.98 131.82 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 56' ' ' VAL . 11.4 p -75.49 108.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.0 mt -55.91 124.42 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.49 142.95 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -63.31 -55.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -51.35 -39.91 58.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -58.85 166.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -120.17 157.13 29.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.68 -59.13 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASN . 42.5 tt0 -42.88 -54.27 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.01 -50.18 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' HD23 ' A' ' 57' ' ' LEU . 45.3 m-85 -71.85 -32.42 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.1 t30 81.53 47.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.54 17.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.12 114.48 6.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.17 6.26 52.45 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -88.93 167.1 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -107.86 113.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 10' ' ' VAL . 6.0 mt -91.99 171.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.0 m-70 -124.6 96.88 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HB3' HG13 ' A' ' 12' ' ' VAL . 7.3 tp -89.72 145.31 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 33.7 m -132.27 148.67 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 10' ' ' VAL . 2.1 tt -92.36 135.18 34.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' CG ' HG23 ' A' ' 21' ' ' THR . 33.2 tt0 -90.1 144.58 25.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.571 HG13 HD11 ' A' ' 73' ' ' ILE . 51.2 t -145.65 128.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.2 mp -104.05 169.15 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.622 HG13 ' HB3' ' A' ' 75' ' ' LEU . 38.0 t -155.85 116.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -109.45 106.53 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.8 p -70.43 -173.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.72 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.33 28.16 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t 45.47 69.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.17 81.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 11' ' ' LEU . 84.8 m -76.28 133.62 40.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -132.4 117.37 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.59 135.15 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.6 m-85 -132.25 140.55 48.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mm -114.13 104.37 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 33' ' ' PHE . 27.1 m -126.56 163.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.3 121.69 13.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.01 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' MET . 54.5 mt-30 -52.88 -42.64 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.4 ttm -36.87 153.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 1.8 p-10 -106.96 160.25 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.55 ' HA ' HD11 ' A' ' 63' ' ' LEU . 51.1 t -48.4 -52.95 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -49.28 -61.15 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -48.29 -53.04 18.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HD1' HG21 ' A' ' 24' ' ' VAL . 76.8 t80 -51.13 -44.56 61.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 30' ' ' VAL . 8.0 mttp -54.82 -54.5 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 20.1 mt-10 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -58.97 -57.12 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.2 pt -67.81 -31.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -42.0 -29.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.59 -51.75 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.9 m -70.95 -63.45 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.787 HG23 ' H ' ' A' ' 43' ' ' ILE . 28.1 m -53.25 -32.09 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.68 20.03 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.787 ' H ' HG23 ' A' ' 41' ' ' VAL . 14.9 mt -117.32 139.96 26.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.92 144.87 31.08 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -50.91 -50.42 57.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.4 -20.65 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -98.61 -27.7 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' HG21 ' A' ' 41' ' ' VAL . 39.3 mt-30 -80.93 162.76 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.3 ttm180 -165.28 78.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.615 ' CB ' HD12 ' A' ' 57' ' ' LEU . 72.3 mt -51.37 134.49 28.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.43 HD11 ' HD3' ' A' ' 49' ' ' ARG . 34.2 mt -137.86 126.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' GLY . 61.2 t80 -109.96 122.57 47.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' TYR . 46.3 mm-40 66.33 -68.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.2 32.18 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -134.02 133.56 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 56' ' ' VAL . 4.7 p -75.75 116.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD22 ' CD2' ' A' ' 66' ' ' TYR . 4.6 mt -67.46 121.9 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -59.99 125.77 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -24.52 43.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -32.89 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.1 mmtp -63.12 166.66 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -114.47 155.0 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -60.04 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -42.71 -41.54 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -53.84 38.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD2' HD22 ' A' ' 57' ' ' LEU . 58.9 m-85 -72.7 -7.06 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.52 49.08 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 33.4 m -91.96 20.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.1 113.04 5.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.46 55.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -86.16 169.27 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -109.57 115.7 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.59 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.9 mt -95.12 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.59 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.1 m-70 -125.99 92.45 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -81.3 147.81 29.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -128.36 144.94 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.9 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -87.3 135.74 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 31.9 tt0 -92.65 145.69 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 73' ' ' ILE . 56.8 t -145.58 131.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HG23 ' A' ' 12' ' ' VAL . 7.1 mp -107.22 169.42 8.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 70.3 t -155.63 118.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -105.75 134.95 48.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -101.75 -177.4 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.39 45.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.29 32.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 m 43.18 78.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -156.2 84.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -90.16 138.76 31.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 10.6 mtt-85 -130.13 169.83 14.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -122.89 136.5 54.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' ILE . 65.6 m-85 -132.11 137.81 47.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.1 mm -112.52 104.3 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -126.66 163.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.61 122.44 9.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 64' ' ' GLN . . . -41.65 -43.9 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 30.9 mt-30 -52.7 -44.59 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.22 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.1 p-10 -100.63 168.49 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' HD11 ' A' ' 63' ' ' LEU . 13.4 t -56.1 -56.32 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 -61.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLU . 24.7 mt-10 -47.08 -59.67 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.4 t80 -43.86 -44.06 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.764 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.9 mttm -58.52 -41.78 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' GLU . 39.2 mt-10 -67.95 -32.38 72.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -57.62 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.5 pt -70.3 -29.54 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.3 -31.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.98 -56.23 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 m -63.15 -60.36 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 37' ' ' ILE . 26.8 m -59.36 -24.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t 65.09 25.41 12.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 44' ' ' PRO . 91.8 mt -118.7 142.34 31.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.91 143.22 29.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -58.57 -18.33 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.48 -31.3 47.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -93.65 -16.47 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.3 mt-30 -76.97 160.7 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.499 ' CG ' HG23 ' A' ' 56' ' ' VAL . 77.6 ttt180 -163.84 75.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 75' ' ' LEU . 44.2 mt -61.3 126.67 28.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.54 126.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 54' ' ' GLY . 90.3 t80 -111.67 126.8 55.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 66.71 -67.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.47 32.41 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -139.3 134.1 32.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 56' ' ' VAL . 9.8 p -73.23 106.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 66' ' ' TYR . 7.1 mt -49.82 116.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.83 142.72 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -57.31 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -34.74 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -61.01 163.68 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -118.59 155.86 30.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.809 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.59 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 7.8 tt0 -43.81 -47.95 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -53.57 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.747 ' CD2' HD22 ' A' ' 57' ' ' LEU . 40.1 m-85 -68.61 -26.86 65.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 1.8 t30 80.22 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.7 m -93.02 27.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.76 110.34 3.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.64 5.11 55.47 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -84.86 172.06 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.66 116.35 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 5.0 mt -94.84 173.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 65.1 m-70 -126.63 95.66 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB2' HD23 ' A' ' 50' ' ' LEU . 9.3 tp -86.67 150.65 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.98 143.11 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.6 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 10' ' ' VAL . 3.5 tt -91.41 131.39 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' CG ' HG23 ' A' ' 21' ' ' THR . 48.8 tt0 -88.76 149.02 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' HD11 ' A' ' 73' ' ' ILE . 42.7 t -148.76 126.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.6 mp -102.24 156.42 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 75' ' ' LEU . 20.0 t -139.64 116.89 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -109.07 114.64 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -81.46 -165.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.8 48.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.92 30.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t 43.38 65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -136.94 87.27 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -85.18 134.62 34.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -131.89 119.74 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -78.23 134.1 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 52.4 m-85 -131.4 139.42 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -112.2 104.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -126.18 163.33 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -69.89 123.0 12.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.28 -36.23 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.2 mm-40 -61.53 -42.33 98.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -37.65 147.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -97.61 168.12 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 63' ' ' LEU . 12.6 t -55.82 -50.05 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 11.6 tttt -50.67 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 49.6 mt-10 -40.84 -56.9 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 50' ' ' LEU . 66.2 t80 -46.44 -48.7 18.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.7 mttt -52.93 -45.72 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.6 -32.22 73.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -68.82 -56.82 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.633 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.6 pt -70.05 -26.45 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -47.4 -28.68 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.05 -46.4 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -70.12 -60.12 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.801 HG21 ' OE1' ' A' ' 48' ' ' GLN . 31.7 m -60.33 -19.81 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.98 26.96 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 44' ' ' PRO . 76.0 mt -127.16 141.73 41.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 143.57 29.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 t -48.45 -50.29 31.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.3 -20.06 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -98.0 -27.33 14.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.801 ' OE1' HG21 ' A' ' 41' ' ' VAL . 43.3 mt-30 -84.09 159.32 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 56' ' ' VAL . 12.0 ttt180 -159.16 81.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.819 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -54.34 130.32 38.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.93 127.28 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 57' ' ' LEU . 51.6 t80 -137.37 130.23 30.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 66.12 10.61 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.24 43.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -128.61 124.81 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' CG ' ' A' ' 49' ' ' ARG . 7.2 p -61.52 106.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.5 mt -52.99 129.13 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.13 143.07 50.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -54.84 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.36 -36.2 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.49 168.08 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -121.2 157.91 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.24 -58.63 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 12.4 tt0 -43.06 -51.79 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.71 -48.29 4.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.7 ' CE1' HD23 ' A' ' 57' ' ' LEU . 51.9 m-85 -75.19 -28.37 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.5 t-20 79.37 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.62 15.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.97 114.36 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.49 55.22 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -90.96 166.3 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.24 113.49 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 74' ' ' HIS . 5.7 mt -91.2 172.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 73' ' ' ILE . 74.7 m-70 -124.2 95.37 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -85.84 140.55 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -126.45 142.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG3' HG21 ' A' ' 43' ' ' ILE . 9.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -91.56 132.63 36.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 21' ' ' THR . 51.2 tt0 -92.73 148.24 22.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.0 t -147.87 128.36 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.1 mp -101.26 169.29 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 11' ' ' LEU . 77.3 t -152.78 117.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -106.96 105.9 16.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.6 p -73.47 -165.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.31 55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -173.82 35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p 40.25 73.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -144.64 84.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -83.11 125.77 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -123.0 120.87 34.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -79.13 138.02 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.442 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' VAL . 62.1 m-85 -133.75 136.15 44.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.35 104.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -127.97 163.39 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 134.96 45.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -15.91 40.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.69 -25.73 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.516 ' O ' HD22 ' A' ' 63' ' ' LEU . 51.2 ttm -52.01 141.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.8 p-10 -89.18 169.07 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.834 HG13 HD12 ' A' ' 50' ' ' LEU . 26.4 t -56.09 -52.52 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLU . 4.3 ttpt -47.57 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 19.7 mt-10 -38.43 -58.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 24' ' ' VAL . 38.9 t80 -45.88 -42.96 13.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.7 mttt -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.23 -32.47 70.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -67.01 -57.56 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.815 ' O ' HG22 ' A' ' 41' ' ' VAL . 26.2 pt -68.49 -32.51 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -31.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -66.13 -57.8 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -62.79 -63.28 1.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.9 m -54.67 -32.15 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.65 23.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.4 mt -113.79 141.6 26.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 148.09 35.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -65.86 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.41 -12.4 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 10.9 mtpp -113.93 -3.45 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 75' ' ' LEU . 41.6 mt-30 -89.18 162.19 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.618 ' HE ' HG21 ' A' ' 56' ' ' VAL . 27.8 ttt180 -162.33 84.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 30' ' ' VAL . 59.7 mt -64.83 130.29 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 49' ' ' ARG . 24.9 mt -136.08 126.53 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' GLY . 58.9 t80 -113.86 121.65 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 68.57 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -175.56 33.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.76 133.77 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.618 HG21 ' HE ' ' A' ' 49' ' ' ARG . 9.9 p -75.97 111.71 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.793 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -61.45 121.66 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.54 138.0 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -38.73 90.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -39.72 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -62.31 161.06 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 29' ' ' ASN . 2.7 mttm -110.44 160.69 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.2 -57.51 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASN . 36.3 tt0 -43.95 -52.23 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -49.58 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.2 m-85 -74.02 -29.49 61.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.2 t-20 81.72 42.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.2 m -88.97 14.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.95 114.26 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.09 5.39 53.13 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -88.8 170.68 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.67 112.24 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 10' ' ' VAL . 10.1 mt -91.87 170.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.526 ' H ' HG22 ' A' ' 73' ' ' ILE . 73.4 m-70 -124.57 99.84 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -94.43 142.84 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 ' H ' HD12 ' A' ' 75' ' ' LEU . 35.0 m -131.84 145.83 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 HG23 ' A' ' 10' ' ' VAL . 2.8 tt -91.65 133.47 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.1 tt0 -88.44 145.57 25.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.6 t -148.1 128.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.522 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -104.25 169.19 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 69.1 t -155.41 127.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.07 133.18 56.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.4 p -121.96 -174.85 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.28 -47.12 66.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -46.76 -37.24 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 2.9 t 79.12 48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -130.8 82.06 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.522 ' CG2' HD23 ' A' ' 11' ' ' LEU . 67.9 m -48.66 135.31 14.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -127.8 117.37 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.56 136.35 37.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' VAL . 60.2 m-85 -132.97 136.66 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -110.67 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.3 m -126.22 163.28 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.72 122.49 17.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.65 -38.07 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -59.26 -43.01 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.9 ttm -38.89 149.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -105.17 153.34 21.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.955 HG13 HD12 ' A' ' 50' ' ' LEU . 70.3 t -43.28 -47.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -47.35 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLU . 34.8 mt-10 -51.81 -54.26 30.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 58.9 t80 -44.29 -34.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.781 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 6.4 mttm -70.34 -41.71 72.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.4 mt-10 -67.94 -30.19 69.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -68.82 -60.51 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.7 pt -68.59 -27.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.781 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.94 -30.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -73.23 -54.91 7.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -62.33 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.8 m -54.73 -31.11 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.94 26.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.765 ' H ' HG23 ' A' ' 41' ' ' VAL . 89.2 mt -123.53 141.8 37.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.88 29.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -50.2 -47.01 54.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.21 -18.75 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -98.39 -27.66 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' HG2' HD11 ' A' ' 75' ' ' LEU . 61.3 mt-30 -67.69 162.33 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.597 ' CD ' HD11 ' A' ' 51' ' ' ILE . 46.6 ttt180 -166.66 73.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.955 HD12 HG13 ' A' ' 30' ' ' VAL . 62.0 mt -56.73 127.63 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.597 HD11 ' CD ' ' A' ' 49' ' ' ARG . 20.6 mt -135.2 126.35 45.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.662 ' CD2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.21 121.26 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.3 -65.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.52 34.06 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 3.1 mtt-85 -137.65 138.09 39.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 56' ' ' VAL . 9.1 p -80.34 111.23 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mt -63.21 121.9 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -63.65 140.8 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.8 -31.37 71.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.8 -38.34 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.7 mmtt -59.06 169.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -117.3 154.71 30.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.4 -60.16 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -44.94 -45.35 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.59 -56.24 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 55.1 m-85 -67.63 -23.03 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.8 t-20 78.22 44.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG12 ' CD2' ' A' ' 52' ' ' TYR . 31.2 m -93.38 25.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.85 112.11 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.36 8.65 59.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.61 169.17 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.16 119.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.7 mt -96.81 175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.655 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.0 m-70 -127.25 89.9 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 13.5 tp -82.12 152.23 26.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.6 m -150.56 156.22 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 10' ' ' VAL . 1.9 tt -96.07 135.33 38.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' CG ' HG23 ' A' ' 21' ' ' THR . 34.8 tt0 -91.78 144.39 25.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.551 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 58.4 t -144.54 127.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -107.02 157.01 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 75' ' ' LEU . 22.9 t -141.21 131.44 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -116.18 117.92 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' ASP . 55.9 p -93.16 162.31 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.27 61.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' THR . 33.2 m-20 -163.95 32.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.6 m 39.6 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -166.2 117.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -107.51 138.2 44.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 73.1 mtt180 -125.04 168.82 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.457 HG23 ' CG ' ' A' ' 9' ' ' GLU . 2.7 m -128.55 131.26 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.79 139.97 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -112.89 104.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.82 163.33 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.53 123.27 9.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.19 -41.16 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 46.3 mt-30 -55.45 -42.42 74.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.0 ttm -36.95 145.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.0 p-10 -99.0 156.74 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 63' ' ' LEU . 73.2 t -45.42 -53.85 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.64 -62.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 50' ' ' LEU . 51.7 t80 -44.82 -44.25 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 25.1 mttt -58.05 -44.66 87.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.38 -32.1 71.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.01 -57.1 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.805 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.8 pt -68.95 -33.96 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.6 -31.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.41 -58.3 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -63.67 -63.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -52.72 -30.82 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.53 24.07 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.776 ' H ' HG23 ' A' ' 41' ' ' VAL . 53.0 mt -121.38 141.53 33.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 143.56 29.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLN . 55.9 p -50.97 -55.43 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -48.74 -23.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -96.36 -28.47 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 55.7 mt-30 -74.36 162.42 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.5 ttt180 -166.08 82.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 31.5 mt -59.47 138.32 57.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.3 mt -137.77 128.37 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 48.0 t80 -130.48 121.5 25.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 1.9 tm0? 84.78 -39.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.24 -21.39 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 152.59 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.9 p -83.53 146.05 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 13.1 mt -86.33 130.02 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.65 121.95 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -40.22 63.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.84 -33.62 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -66.16 170.95 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.93 156.47 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.762 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.85 -59.4 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -41.08 -50.08 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.79 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HD23 ' A' ' 57' ' ' LEU . 65.9 m-85 -68.23 -29.82 68.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.3 t-20 81.69 46.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.58 33.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.11 113.32 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 4.53 56.11 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.07 167.62 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.86 112.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 10' ' ' VAL . 8.1 mt -93.64 168.62 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' HG22 ' A' ' 73' ' ' ILE . 80.8 m-70 -120.93 99.38 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 HD23 ' A' ' 50' ' ' LEU . 26.2 tp -88.1 148.76 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 28.7 m -130.81 148.77 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HB2' HD13 ' A' ' 43' ' ' ILE . 5.4 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.3 tt -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 27.5 tt0 -90.61 143.76 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' A' ' 8' ' ' LEU . 44.3 t -144.76 131.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.8 mp -106.62 169.17 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.0 t -157.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -110.16 115.55 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -82.16 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -72.83 59.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -173.28 34.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.3 p 39.19 68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -144.42 100.14 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.424 ' CG2' HD23 ' A' ' 11' ' ' LEU . 21.5 m -94.62 140.86 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -137.44 119.91 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.55 137.82 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 10' ' ' VAL . 57.8 m-85 -133.33 138.43 46.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mm -112.28 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -126.38 163.35 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.98 122.94 9.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.59 -43.37 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.794 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' MET . 41.1 mt-30 -52.58 -45.13 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.7 ttm -37.8 149.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.2 p-10 -101.1 168.33 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.63 HG12 ' HE3' ' A' ' 34' ' ' LYS . 17.8 t -56.28 -59.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -43.25 -57.29 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLU . 8.5 mt-10 -51.01 -59.22 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 24' ' ' VAL . 45.6 t80 -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.2 mttt -60.28 -43.26 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.3 mt-10 -66.48 -31.39 72.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -71.01 -58.06 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.635 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.59 HD11 ' OE1' ' A' ' 48' ' ' GLN . 8.0 pt -67.99 -27.88 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.4 -29.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.06 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 m -56.84 -58.79 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.875 HG23 ' H ' ' A' ' 43' ' ' ILE . 31.7 m -62.0 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 71.12 16.04 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 41' ' ' VAL . 92.2 mt -112.63 140.39 23.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 148.09 34.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.8 p -55.82 -25.18 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.51 -14.52 62.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HE2' ' CD ' ' A' ' 44' ' ' PRO . 41.5 mtmt -110.35 -25.93 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.59 ' OE1' HD11 ' A' ' 37' ' ' ILE . 44.8 mt-30 -70.82 156.8 39.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.608 ' HD3' HD11 ' A' ' 51' ' ' ILE . 43.1 ttt180 -161.88 74.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HB3' HD12 ' A' ' 57' ' ' LEU . 50.9 mt -52.71 131.33 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.608 HD11 ' HD3' ' A' ' 49' ' ' ARG . 25.8 mt -136.79 126.46 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -117.55 121.56 41.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.34 -64.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.55 34.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.65 144.98 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.0 p -84.22 108.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.3 mt -57.68 117.2 3.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.7 163.65 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -59.13 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -27.69 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.51 165.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -120.98 155.04 35.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.783 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.73 -59.59 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ASN . 13.4 tt0 -42.12 -51.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.19 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.631 ' CE1' HD23 ' A' ' 57' ' ' LEU . 47.2 m-85 -66.6 -26.27 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER 77.26 42.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.668 HG12 ' CE2' ' A' ' 52' ' ' TYR . 31.6 m -88.96 14.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.69 116.03 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.15 9.56 48.65 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -89.81 176.09 6.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -114.45 117.63 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.0 mt -97.78 174.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.63 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.4 m-70 -128.36 92.83 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 76' ' ' VAL . 3.0 tp -83.04 152.97 25.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.1 m -142.57 142.91 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' HB2' HD13 ' A' ' 43' ' ' ILE . 4.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 2.5 tt -97.98 133.79 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 37.9 tt0 -90.42 144.6 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 46.8 t -145.73 128.1 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.5 mp -103.07 169.2 8.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' LEU . 55.7 t -157.27 114.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -104.44 117.44 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -81.94 176.74 9.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.8 56.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.43 35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t 39.62 72.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -145.72 79.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 72.5 m -78.83 138.93 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -134.09 119.58 19.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.8 135.21 37.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . 53.4 m-85 -131.86 140.56 49.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -114.78 104.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.2 m -125.65 163.42 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.22 122.95 10.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.81 -39.03 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' MET . 9.7 mt-30 -56.46 -44.27 80.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.7 ttm -37.54 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.1 p-10 -104.46 175.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.541 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.0 t -62.7 -56.07 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -58.29 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.0 mt-10 -48.66 -57.29 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 44.5 t80 -44.82 -39.21 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.2 mttp -65.76 -38.9 90.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.7 mt-10 -68.31 -33.34 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -68.78 -58.18 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.567 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.5 pt -68.38 -28.72 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.32 -31.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -65.22 -58.97 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.789 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.6 m -55.06 -30.59 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m 71.71 20.69 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.789 ' H ' HG23 ' A' ' 41' ' ' VAL . 41.5 mt -117.34 141.02 28.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.96 29.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 p -51.42 -48.63 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.95 -18.85 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -102.23 -23.91 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 34' ' ' LYS . 41.4 mt-30 -78.08 158.3 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.8 ttt180 -159.73 79.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CB ' HD12 ' A' ' 57' ' ' LEU . 34.4 mt -59.75 141.97 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -139.46 128.28 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 53' ' ' GLN . 59.1 t80 -128.89 120.83 26.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 2.7 mm100 83.5 -37.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.28 -19.75 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 139.66 31.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.8 p -66.8 152.45 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 50' ' ' LEU . 16.8 mt -95.32 117.45 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -63.33 134.19 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -59.91 4.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.52 -41.88 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 167.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -120.37 153.25 36.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.29 -60.66 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASN . 11.6 tt0 -41.91 -52.65 4.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -49.85 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE1' HD23 ' A' ' 57' ' ' LEU . 43.2 m-85 -70.35 -29.34 65.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER 81.55 40.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.65 15.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 115.22 7.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.21 6.13 51.96 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -87.63 167.37 13.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.57 110.67 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.4 mt -89.88 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.539 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.5 m-70 -121.53 95.42 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 76' ' ' VAL . 19.2 tp -82.51 150.5 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.619 ' H ' HD12 ' A' ' 75' ' ' LEU . 18.8 m -142.22 147.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 tt -96.51 131.26 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.499 ' CG ' HG23 ' A' ' 21' ' ' THR . 54.0 tt0 -93.75 148.2 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.566 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.5 t -146.46 130.4 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.6 mp -104.31 169.26 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.64 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.3 t -154.9 118.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.88 144.43 32.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -127.09 -175.45 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.7 mm? -56.14 -50.48 71.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -29.12 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.15 60.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -120.19 60.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.9 m -38.83 124.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -124.49 121.07 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.499 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -80.72 136.68 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 59.3 m-85 -131.4 138.56 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -109.93 105.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -130.5 163.45 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.74 124.68 18.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . . . -49.07 -25.44 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.43 -36.2 63.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.6 ttm -38.91 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.6 p-10 -101.63 158.07 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.5 t -45.7 -53.72 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' CB ' ' HG3' ' A' ' 28' ' ' MET . 33.0 mt-10 -45.79 -55.42 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 54.7 t80 -49.22 -42.18 39.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 23.8 mttt -61.05 -46.07 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.16 -32.54 73.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.58 -58.0 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.791 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -69.5 -30.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.65 -35.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -58.29 -62.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' ILE . 30.5 m -58.82 -21.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER 62.95 25.83 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.706 HG23 ' HD2' ' A' ' 44' ' ' PRO . 85.7 mt -120.43 142.42 33.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 143.73 29.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 10.5 p -53.12 -45.67 68.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.03 -17.29 16.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 15.6 mtpt -102.77 -20.53 14.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.779 ' OE1' HD11 ' A' ' 37' ' ' ILE . 68.6 mt-30 -79.41 155.84 28.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 56' ' ' VAL . 37.0 ttt180 -155.58 84.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.65 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -67.43 135.33 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.8 mt -137.13 128.59 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 52.1 t80 -126.21 122.05 34.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 2.0 tm0? 81.38 -43.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.58 -26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 150.84 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.8 p -82.59 156.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' CB ' ' A' ' 50' ' ' LEU . 19.3 mt -98.73 124.51 43.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.95 122.84 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -52.5 -22.19 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -82.68 -34.88 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -65.86 171.11 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.17 156.34 25.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.35 -59.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -44.05 -45.12 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -27.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.5 m-85 -101.38 -23.82 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 16.8 t30 76.36 49.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 17.0 m -92.83 31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.66 117.84 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.84 8.19 46.82 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -90.05 167.47 12.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.6 109.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.4 mt -88.36 170.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 83.8 m-70 -121.06 96.69 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 12' ' ' VAL . 5.3 tp -90.42 153.22 20.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.32 144.36 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.2 tt -98.74 134.44 41.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 65.6 tt0 -86.38 145.55 26.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG13 HD11 ' A' ' 73' ' ' ILE . 49.7 t -148.43 130.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -106.51 169.28 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 75' ' ' LEU . 59.8 t -156.05 117.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 109.88 20.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -77.14 -175.46 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.733 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -83.24 55.7 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.6 t0 -168.66 34.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 50.3 m 39.17 66.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -138.14 97.43 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.523 ' CG2' HD23 ' A' ' 11' ' ' LEU . 90.5 m -91.23 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -134.41 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.24 141.94 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 69.2 m-85 -137.72 136.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.1 mm -112.16 104.26 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 35.6 m -127.19 163.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.46 121.36 15.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.1 -45.67 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' MET . 37.2 mm-40 -50.71 -44.51 58.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 48.9 ttm -36.18 149.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.0 p-10 -99.77 168.8 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 63' ' ' LEU . 15.9 t -55.69 -55.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -46.53 -62.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 28.1 mt-10 -44.54 -59.13 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.0 t80 -44.13 -42.81 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.6 mttt -61.9 -45.93 91.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.4 mt-10 -60.71 -33.66 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.06 -61.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.635 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.9 pt -63.34 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -46.55 -25.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -71.93 -58.01 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -59.15 -62.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' H ' ' A' ' 43' ' ' ILE . 34.0 m -58.14 -30.52 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.6 4.72 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.855 ' H ' HG23 ' A' ' 41' ' ' VAL . 81.6 mt -97.59 142.32 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 143.52 29.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 p -53.18 -46.03 68.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.9 -20.38 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -100.68 -27.49 13.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.0 mt-30 -76.21 161.42 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 21.1 ttm105 -163.27 89.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' CB ' HD12 ' A' ' 57' ' ' LEU . 30.5 mt -62.05 126.86 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 56' ' ' VAL . 19.9 mt -132.12 126.2 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.609 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.01 121.18 40.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.46 -63.49 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.6 34.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.83 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 51' ' ' ILE . 22.8 t -73.17 103.04 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' ' 66' ' ' TYR . 7.8 mt -52.51 121.48 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.421 ' O ' HG11 ' A' ' 30' ' ' VAL . 9.5 mp0 -61.04 167.89 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -53.4 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -24.74 47.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 167.25 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.16 157.27 30.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.67 -57.19 13.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -43.36 -48.8 7.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -51.86 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.843 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.7 m-85 -70.59 -31.56 68.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 5.0 t-20 81.92 45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.609 HG12 ' CE2' ' A' ' 52' ' ' TYR . 19.9 m -92.84 31.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.73 110.03 3.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.34 1.36 60.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.86 173.18 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.23 120.14 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.654 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.3 mt -97.79 175.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.654 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.8 m-70 -130.61 94.67 3.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -86.08 148.08 25.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.9 m -132.02 145.04 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.0 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 10' ' ' VAL . 3.1 tt -88.67 132.29 34.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -91.53 146.36 23.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 73' ' ' ILE . 45.1 t -144.53 130.54 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.6 mp -106.56 155.72 19.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 75' ' ' LEU . 55.7 t -137.76 132.73 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -115.91 134.56 54.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.3 p -113.76 168.44 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.69 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.52 60.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.8 t0 -169.87 33.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 69.8 m 38.58 55.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -128.87 110.77 12.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -109.98 127.95 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 45.3 mtt180 -120.91 171.93 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.509 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -126.82 136.47 52.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.462 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 54.9 m-85 -132.8 139.51 47.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -112.8 104.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -127.02 163.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -70.81 123.47 11.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.08 -36.59 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' MET . 1.6 mt-30 -60.54 -42.72 97.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.1 ttm -37.13 148.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.1 p-10 -97.2 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HA ' HD11 ' A' ' 63' ' ' LEU . 8.7 t -56.78 -49.12 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 12.4 ttpt -51.52 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 59.2 mt-10 -38.68 -53.92 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 24' ' ' VAL . 70.3 t80 -52.46 -44.74 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 24.3 mttt -57.14 -41.89 79.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.46 -37.3 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -63.03 -50.36 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.761 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.1 pt -74.29 -32.82 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -44.24 -27.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.5 -57.01 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -65.75 -63.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 37' ' ' ILE . 33.9 m -53.04 -33.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.15 29.68 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . 24.4 mt -126.61 140.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.9 143.16 29.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -54.97 -40.03 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.52 -12.8 35.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 5.4 mtpp -110.37 -23.34 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 51.0 mt-30 -74.38 172.6 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HE ' HG21 ' A' ' 56' ' ' VAL . 41.3 ttt180 -168.7 77.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 ' CB ' HD12 ' A' ' 57' ' ' LEU . 39.4 mt -58.46 131.96 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 HD11 ' HD3' ' A' ' 49' ' ' ARG . 15.8 mt -134.89 126.44 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.6 t80 -109.32 125.03 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 66.63 -68.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -171.33 31.9 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.95 137.68 34.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.531 HG21 ' HE ' ' A' ' 49' ' ' ARG . 7.6 p -70.86 149.21 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 50' ' ' LEU . 24.6 mt -99.66 124.54 44.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -71.6 131.45 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -55.69 27.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -40.72 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.52 167.68 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -118.23 159.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -61.15 -57.99 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -45.54 -46.25 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.13 -34.35 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CD2' HD22 ' A' ' 57' ' ' LEU . 46.8 m-85 -92.04 -26.72 18.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 77.74 49.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.46 24.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.67 116.54 8.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.5 47.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.35 166.37 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.2 113.38 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.617 HD11 HG13 ' A' ' 10' ' ' VAL . 5.4 mt -90.69 172.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.572 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.6 m-70 -126.21 96.53 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.5 tp -87.73 148.7 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 75' ' ' LEU . 27.5 m -141.81 144.38 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 18.6 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m 55.53 97.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.01 166.08 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.05 141.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.49 77.65 8.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -138.65 108.35 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.46 173.55 28.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 10' ' ' VAL . 1.5 tt -103.77 135.87 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.664 ' HG3' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -90.23 139.84 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 HD23 ' A' ' 8' ' ' LEU . 66.3 t -141.41 124.67 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.5 mp -100.82 156.1 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.17 117.65 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -107.21 106.98 17.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 p -72.5 -171.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.58 44.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -161.99 34.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t 42.09 75.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -146.38 85.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 m -82.53 129.47 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -129.61 117.31 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -75.2 138.56 42.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' VAL . 61.5 m-85 -134.21 139.16 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 mm -112.54 104.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.8 m -126.43 163.29 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.54 122.81 18.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.3 -32.82 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.43 -41.53 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -38.13 148.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.6 p-10 -97.64 170.39 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' HD11 ' A' ' 63' ' ' LEU . 11.9 t -58.5 -51.33 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -48.58 -67.6 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 42.8 mt-10 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HD2' HD11 ' A' ' 50' ' ' LEU . 63.9 t80 -41.54 -45.15 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -58.79 -43.14 90.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 26.5 mt-10 -65.99 -32.19 73.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.93 -59.24 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.8 pt -68.02 -27.4 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -42.93 -30.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.12 -57.28 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -60.8 -62.08 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 37' ' ' ILE . 16.8 m -54.57 -32.09 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.15 14.49 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 41' ' ' VAL . 25.0 mt -112.92 140.19 23.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.0 Cg_endo -75.03 145.39 31.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.1 p -49.57 -55.08 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.86 -24.23 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 -27.88 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' SER . 46.1 mt-30 -75.77 170.12 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 23.7 ttt180 -174.35 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 27.5 mt -55.91 127.98 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -124.85 135.82 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -144.09 128.06 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.23 23.9 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.7 22.98 68.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.27 150.5 43.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 56' ' ' VAL . 8.1 p -90.92 110.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.6 mt -59.68 127.21 30.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -68.72 146.45 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.28 -52.78 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -29.22 63.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 165.17 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -118.76 158.14 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.71 -58.69 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASN . 17.6 tt0 -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -49.11 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 47.8 m-85 -74.69 -31.59 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 81.47 47.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 73' ' ' ILE . 6.0 m -91.1 18.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.94 120.0 21.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.65 11.18 41.16 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -94.07 166.04 12.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -106.59 110.49 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 10' ' ' VAL . 10.4 mt -89.69 163.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.42 99.91 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.617 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 49' ' ' ARG . 3.4 tp -89.68 139.36 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -124.16 143.19 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.13 124.09 49.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 161.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . 60.57 162.63 0.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.3 Cg_endo -74.96 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 146.82 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.64 147.3 27.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -56.42 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 m -63.39 -61.53 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -150.06 124.08 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -156.64 117.04 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.36 -162.1 9.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 p -69.31 157.38 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 m 51.71 86.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.69 168.58 16.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 4.5 tt -94.54 130.17 41.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.537 ' CG ' HG23 ' A' ' 21' ' ' THR . 26.2 tt0 -89.06 147.83 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.502 HG13 HD11 ' A' ' 73' ' ' ILE . 62.1 t -146.05 131.58 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.4 mp -108.38 167.68 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 11' ' ' LEU . 34.9 t -158.85 130.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -118.97 110.46 17.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 p -78.9 -162.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 15' ' ' LEU . 4.7 mp -91.34 53.07 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.07 26.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m 39.48 62.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 108.47 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -96.41 131.0 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -121.85 126.83 49.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.537 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -82.13 136.26 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.5 m-85 -130.82 141.19 50.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -113.0 104.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.9 m -126.28 163.35 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.47 122.21 8.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.58 -41.34 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.7 mt-30 -55.84 -43.86 77.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.9 ttm -37.33 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -100.82 172.87 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.584 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.5 t -59.39 -53.7 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 1.2 ttpt -48.39 -67.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.5 mt-10 -38.81 -59.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 24' ' ' VAL . 67.8 t80 -45.2 -48.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 8.4 mttp -54.87 -42.42 72.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.13 -33.45 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -68.7 -56.67 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.7 pt -68.14 -33.56 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.48 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.55 40.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.6 m -64.53 -63.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 ' H ' ' A' ' 43' ' ' ILE . 32.8 m -56.4 -25.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.26 28.58 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.702 HG23 ' HD2' ' A' ' 44' ' ' PRO . 81.9 mt -126.4 142.37 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.702 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 143.57 29.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.424 1.75 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 p -50.95 -48.82 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -52.99 -27.1 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -92.61 -25.79 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' OE1' HG21 ' A' ' 41' ' ' VAL . 42.5 mt-30 -78.94 166.17 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' HG3' HG23 ' A' ' 56' ' ' VAL . 33.7 ttm180 -165.07 81.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' CB ' HD12 ' A' ' 57' ' ' LEU . 37.9 mt -60.37 125.28 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.502 HD11 ' HG2' ' A' ' 49' ' ' ARG . 15.6 mt -129.55 126.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 53' ' ' GLN . 90.3 t80 -110.83 122.02 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 52' ' ' TYR . 1.6 mm100 67.04 -66.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.67 32.53 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -134.81 136.86 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 49' ' ' ARG . 4.5 p -81.24 104.59 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.844 HD22 ' CD2' ' A' ' 66' ' ' TYR . 5.3 mt -51.73 127.0 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.43 137.94 44.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -55.74 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -53.08 -37.33 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -59.31 163.52 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -117.01 153.82 31.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.783 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.17 -59.59 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -47.35 -38.47 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.04 -41.71 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.844 ' CD2' HD22 ' A' ' 57' ' ' LEU . 41.1 m-85 -83.97 -8.8 59.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 61.29 45.1 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 66' ' ' TYR . 29.4 m -89.35 14.29 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.71 121.12 25.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.02 12.06 41.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -94.83 167.44 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -108.27 112.52 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.2 mt -91.06 172.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.586 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.2 m-70 -125.81 97.4 5.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.582 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.5 tp -85.79 146.73 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.0 m -140.71 142.53 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -106.08 118.3 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.88 140.61 53.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.59 67.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.431 1.753 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.88 -71.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -123.71 152.88 17.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.63 6.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 t -126.49 -62.7 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.1 p -144.72 103.98 3.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.87 117.82 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.54 148.97 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.06 12.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.29 -56.54 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.56 157.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.16 -138.94 8.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.6 tt -91.52 133.97 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.481 ' CG ' HG23 ' A' ' 21' ' ' THR . 40.5 tt0 -87.96 144.34 26.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.511 ' CG2' HD23 ' A' ' 8' ' ' LEU . 40.8 t -145.91 128.9 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.3 mp -103.13 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 75' ' ' LEU . 24.5 t -154.86 124.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -114.09 119.39 36.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.3 p -86.66 170.69 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.74 59.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -177.76 36.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.84 72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -143.32 95.52 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -90.36 139.24 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -138.17 117.21 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.61 135.97 37.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' VAL . 58.8 m-85 -133.26 142.3 48.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.21 104.34 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 33' ' ' PHE . 29.0 m -126.26 163.34 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.57 122.58 14.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.59 -35.71 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 5.3 mt-30 -62.18 -41.98 98.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.3 ttm -37.56 149.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.493 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.8 p-10 -98.03 172.5 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.7 t -59.65 -48.9 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 2.0 ttpp -52.59 -66.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 38.6 mt-10 -40.26 -53.88 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 24' ' ' VAL . 54.0 t80 -50.65 -43.48 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.7 mttt -59.34 -44.98 92.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.15 -33.05 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -67.09 -57.4 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -68.97 -31.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.93 -32.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.59 -52.99 25.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ILE . 58.0 m -60.43 -58.87 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.1 m -65.07 -23.99 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 72.8 8.64 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.806 ' H ' HG23 ' A' ' 41' ' ' VAL . 80.8 mt -105.53 142.09 24.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 143.51 29.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLN . 4.2 t -46.7 -54.14 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.63 -21.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE2' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mtmt -92.4 -28.47 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.552 ' OE1' HG21 ' A' ' 41' ' ' VAL . 48.8 mt-30 -84.87 162.84 19.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 56' ' ' VAL . 2.7 ttt180 -162.24 76.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.791 ' CB ' HD12 ' A' ' 57' ' ' LEU . 56.4 mt -50.0 136.37 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.79 126.67 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CB ' HD21 ' A' ' 57' ' ' LEU . 54.1 t80 -123.96 123.75 41.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 67.22 17.59 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.04 81.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.95 129.81 46.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 49' ' ' ARG . 4.7 p -65.63 139.16 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 50' ' ' LEU . 6.0 mt -88.89 126.29 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.21 141.41 57.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -52.49 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.03 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -55.96 164.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -118.8 156.99 28.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -58.59 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -42.25 -44.22 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -54.29 23.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 57' ' ' LEU . 56.2 m-85 -69.9 -12.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 61.18 46.41 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 66' ' ' TYR . 32.8 m -88.67 11.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.69 118.24 9.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.41 10.39 42.27 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -93.32 166.13 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.2 t -105.81 112.77 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.6 mt -91.97 169.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 90.8 m-70 -119.51 96.94 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -84.24 148.73 26.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.71 142.13 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.76 ' HG3' HD13 ' A' ' 43' ' ' ILE . 1.7 tm-20 -112.63 130.21 56.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -69.99 112.52 6.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.64 152.95 78.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 64.68 6.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -129.02 -60.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.94 -131.32 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.9 p -150.24 138.16 20.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.79 94.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 161.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.92 -58.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.74 140.74 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 -57.99 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.73 107.52 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.53 167.5 23.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 10' ' ' VAL . 3.9 tt -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 21' ' ' THR . 30.4 tt0 -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.556 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.3 t -144.73 129.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 mp -102.32 168.99 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.545 HG13 ' HB3' ' A' ' 75' ' ' LEU . 71.9 t -156.57 116.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.12 121.32 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -87.81 179.6 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.56 54.23 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -168.73 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.7 70.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -143.54 90.58 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 11' ' ' LEU . 75.3 m -87.95 135.83 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -133.48 120.23 20.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -81.04 135.98 35.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 61.7 m-85 -131.62 139.49 49.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.87 104.33 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.55 163.21 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.2 122.61 15.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.85 -40.09 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.6 mm-40 -56.55 -43.98 80.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.71 146.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -95.84 177.82 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.545 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.4 t -63.35 -57.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.39 -64.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLU . 19.8 mt-10 -42.22 -59.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CD1' HG21 ' A' ' 24' ' ' VAL . 47.8 t80 -45.4 -40.88 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.796 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.8 mttt -65.13 -35.51 81.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . 37.1 mt-10 -71.51 -35.07 70.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -67.37 -56.29 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.755 ' O ' HG22 ' A' ' 41' ' ' VAL . 14.3 pt -68.5 -31.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.63 -33.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.21 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -62.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.3 m -60.98 -32.73 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 78.43 14.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.704 ' H ' HG23 ' A' ' 41' ' ' VAL . 71.6 mt -106.86 141.19 22.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 p -55.94 -44.49 78.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.0 -19.81 14.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -100.82 -25.74 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -71.18 170.88 12.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 53.4 ttt180 -171.72 76.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.86 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.4 mt -57.38 131.42 50.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -134.14 128.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 66.9 t80 -134.66 121.55 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 87.42 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.36 -17.07 1.68 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.23 133.91 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.12 135.43 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' LEU . 12.2 mt -76.67 126.53 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.48 137.11 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -43.9 98.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -30.23 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -68.95 168.41 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -120.26 155.93 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.99 -60.24 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -44.91 -43.82 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.37 -53.53 21.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.6 m-85 -70.06 -16.03 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 35.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 26.9 m -81.81 4.6 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.19 41.38 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -94.17 166.21 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -105.32 116.0 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.5 mt -94.42 172.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 55.2 m-70 -125.57 94.74 4.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -87.67 137.25 32.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m -122.41 145.54 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.582 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.6 tt0 -114.21 128.21 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.37 169.56 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.13 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -64.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.63 157.91 23.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 78.04 3.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.93 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 t -157.4 122.5 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 141.59 58.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -109.69 130.5 55.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.24 -135.02 4.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.17 -57.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.22 127.3 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.58 164.7 23.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 10' ' ' VAL . 2.4 tt -96.43 134.29 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.4 tt0 -91.87 145.73 24.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.1 t -146.24 129.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mp -105.67 169.12 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 11' ' ' LEU . 25.6 t -156.71 125.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 137.15 52.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 p -120.12 178.94 4.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -25.83 62.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -16.86 62.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.98 71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.048 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -149.02 64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.434 ' CG2' HD23 ' A' ' 11' ' ' LEU . 87.8 m -38.76 135.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -130.22 117.6 20.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.29 135.62 37.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.1 m-85 -132.04 138.37 48.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mm -111.0 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -128.02 163.29 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.75 123.19 9.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.02 -38.57 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -57.65 -43.89 85.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 54.4 ttm -38.19 147.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.1 p-10 -98.24 166.41 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 34' ' ' LYS . 20.9 t -54.58 -53.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -46.08 -60.78 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLU . 32.8 mt-10 -49.01 -57.95 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 59.8 t80 -44.74 -38.24 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.76 ' HD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mttm -66.53 -38.7 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 30.8 mt-10 -70.94 -33.67 70.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -67.52 -49.45 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.834 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.2 pt -77.04 -29.34 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.71 -35.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.77 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -62.0 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.853 HG23 ' H ' ' A' ' 43' ' ' ILE . 26.9 m -53.58 -31.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.84 16.56 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.853 ' H ' HG23 ' A' ' 41' ' ' VAL . 69.6 mt -116.54 141.19 27.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 144.04 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -54.72 -37.09 65.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.03 -12.38 54.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -111.15 -17.37 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.511 ' OE1' HD11 ' A' ' 37' ' ' ILE . 41.8 mt-30 -81.75 165.05 21.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' HG2' HG23 ' A' ' 56' ' ' VAL . 49.8 ttt180 -166.23 87.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.827 ' CB ' HD12 ' A' ' 57' ' ' LEU . 21.8 mt -67.07 136.41 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' NE ' ' A' ' 49' ' ' ARG . 36.5 mt -137.54 127.83 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 40.4 t80 -134.66 122.96 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 86.33 -37.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.35 -18.25 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 134.4 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.7 p -65.26 142.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 50' ' ' LEU . 10.5 mt -81.58 131.28 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 142.71 49.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -47.15 68.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -16.93 63.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.04 169.17 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -120.44 158.05 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.51 -58.54 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' ASN . 37.6 tt0 -41.32 -52.57 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -58.72 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 57' ' ' LEU . 60.5 m-85 -65.22 -28.41 69.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER 79.88 46.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 32.6 m -91.68 20.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.82 116.43 9.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.27 10.15 46.28 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -93.03 169.68 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -107.0 121.71 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.6 mt -99.36 172.01 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' H ' HG22 ' A' ' 73' ' ' ILE . 84.4 m-70 -124.62 93.47 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -87.04 140.3 29.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.612 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -129.01 143.33 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.1 tt0 -111.41 123.42 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 131.2 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 66.33 160.55 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.53 163.32 28.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -170.71 97.3 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.88 19.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -162.8 160.55 25.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.7 p -157.35 109.53 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.93 128.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 p -125.27 -61.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.82 136.11 3.65 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -86.85 -57.29 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -108.83 82.37 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.77 175.27 21.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.7 tt -99.88 133.05 44.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 23' ' ' ILE . 33.5 tt0 -87.53 139.21 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG13 HD11 ' A' ' 73' ' ' ILE . 47.2 t -140.69 126.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -104.65 152.22 22.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 67.8 t -137.33 131.71 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -111.4 146.37 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.0 p -114.01 -169.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.38 -22.78 43.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -89.14 8.97 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t 55.92 65.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -129.11 85.85 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.248 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -70.07 130.31 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 33.3 mtt180 -128.19 123.62 34.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 132.34 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -129.36 142.37 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 11.0 mm -115.57 104.31 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.77 163.42 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.33 122.21 9.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.89 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 44.3 mm-40 -55.37 -44.11 75.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.3 ttm -37.23 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.2 p-10 -98.05 169.54 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' HD11 ' A' ' 63' ' ' LEU . 16.8 t -55.87 -49.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 3.2 ttmt -51.31 -67.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 37.4 mt-10 -38.92 -54.78 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' HG21 ' A' ' 24' ' ' VAL . 29.5 t80 -49.36 -47.61 47.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 17.9 mttt -53.25 -45.17 68.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.76 -33.91 76.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -65.58 -56.88 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.8 pt -69.68 -32.8 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -30.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -72.26 -58.3 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.3 m -62.08 -54.93 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 37' ' ' ILE . 27.7 m -63.62 -30.93 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 32.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.596 ' H ' HG23 ' A' ' 41' ' ' VAL . 23.0 mt -129.51 139.89 37.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 144.23 29.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 p -54.68 -38.95 67.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.59 -15.37 51.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -107.16 -27.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.58 162.88 27.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 56' ' ' VAL . 4.9 ttm180 -169.15 76.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.763 ' CB ' HD12 ' A' ' 57' ' ' LEU . 44.8 mt -50.14 139.09 14.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -132.27 131.16 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -135.59 122.89 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 63.45 29.52 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.42 67.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -131.24 127.8 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 56' ' ' VAL . 4.1 p -71.75 113.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.763 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.4 mt -63.24 140.88 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.22 137.49 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -47.66 83.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -34.84 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 169.71 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -122.08 157.04 32.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.84 -59.3 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -42.98 -42.84 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -45.53 70.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.613 ' CE1' HD23 ' A' ' 57' ' ' LEU . 48.4 m-85 -77.89 -9.95 59.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 61.5 47.31 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 66' ' ' TYR . 13.1 m -94.85 26.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.5 104.86 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.71 -11.73 58.59 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -72.13 165.94 23.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.39 110.64 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 10' ' ' VAL . 7.9 mt -87.8 166.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 73' ' ' ILE . 74.5 m80 -119.55 99.26 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' ' 76' ' ' VAL . 9.2 tp -82.47 155.04 24.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.5 m -141.19 142.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HB2' HD13 ' A' ' 43' ' ' ILE . 9.1 tt0 -119.0 124.29 46.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.94 152.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.26 106.19 0.54 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -167.75 -60.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.9 -160.82 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 60.08 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.69 -59.99 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.39 -58.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -41.71 153.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 130.0 38.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.25 114.05 0.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 94.72 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 t -144.56 83.33 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.32 26.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.0 tt -98.15 134.83 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' HD13 ' A' ' 23' ' ' ILE . 57.4 tt0 -87.03 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG13 HD11 ' A' ' 73' ' ' ILE . 45.9 t -140.44 130.71 28.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.7 mp -106.18 163.82 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.5 t -150.76 116.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -110.79 110.68 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -75.73 -171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.4 mp -87.87 61.11 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.6 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -145.46 89.96 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -86.05 144.44 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -135.57 117.19 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -78.34 134.34 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -133.25 140.64 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' GLU . 9.6 mm -113.75 104.16 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -127.06 163.42 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.27 121.47 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -50.27 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 mm-40 -45.47 -43.58 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.9 ttm -36.93 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -103.26 163.92 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG12 ' HD2' ' A' ' 34' ' ' LYS . 37.8 t -51.11 -54.03 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -47.91 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 27.9 mt-10 -45.39 -57.65 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.61 ' CD1' HG21 ' A' ' 24' ' ' VAL . 65.0 t80 -46.12 -39.02 8.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HD2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -65.13 -46.77 79.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 27.2 mt-10 -59.83 -34.04 72.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.55 -62.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.86 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.3 pt -61.89 -28.31 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.52 -37.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -63.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -57.96 -62.12 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG23 ' H ' ' A' ' 43' ' ' ILE . 27.8 m -54.96 -30.55 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 68.37 19.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.9 ' H ' HG23 ' A' ' 41' ' ' VAL . 97.7 mt -114.69 142.45 28.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 142.99 28.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.808 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -56.71 -19.81 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -75.88 -30.15 58.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -94.78 -15.71 23.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 37' ' ' ILE . 43.4 mt-30 -79.83 168.8 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 2.0 ttm105 -178.81 76.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 57' ' ' LEU . 29.3 mt -55.17 138.47 44.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.681 HG12 HG22 ' A' ' 56' ' ' VAL . 41.8 mt -138.44 126.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 53' ' ' GLN . 89.5 t80 -111.26 122.25 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 67.4 mt-30 68.09 -66.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.29 32.59 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -137.08 136.25 38.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 51' ' ' ILE . 42.8 t -80.5 111.78 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 66' ' ' TYR . 3.8 mt -58.82 125.89 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 144.66 51.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -55.67 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -29.41 57.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.34 163.28 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -118.3 156.24 29.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.95 -58.84 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -43.98 -41.56 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -49.6 60.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.8 m-85 -77.36 -11.96 59.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.06 51.79 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 21.7 m -97.0 25.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.64 104.61 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.4 45.61 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -68.27 166.43 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -106.99 114.09 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 HG13 ' A' ' 10' ' ' VAL . 5.6 mt -90.86 170.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.51 ' H ' HG22 ' A' ' 73' ' ' ILE . 78.9 m-70 -123.4 96.1 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.9 tp -81.71 153.41 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 36.0 m -138.56 143.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 -118.88 129.59 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -67.78 160.96 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.78 159.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -51.57 107.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.33 -148.92 50.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.02 5.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 127.29 32.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 m 60.3 111.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -166.28 141.23 4.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 0.76 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 113.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.75 74.75 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.18 151.07 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 p -59.07 139.07 57.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.44 141.46 3.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD23 HG23 ' A' ' 10' ' ' VAL . 2.7 tt -90.46 133.58 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 53.4 tt0 -88.13 146.56 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 73' ' ' ILE . 48.8 t -149.14 129.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -106.64 164.96 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 75' ' ' LEU . 42.5 t -150.26 127.59 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.81 152.58 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.0 p -124.71 -167.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -21.89 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.53 6.23 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 t 58.04 42.21 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.71 98.0 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -86.43 128.79 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -126.25 129.95 49.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.489 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.2 m -83.69 140.58 32.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 10' ' ' VAL . 62.8 m-85 -134.28 137.07 43.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.83 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -127.8 163.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.16 123.16 9.28 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.43 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 28' ' ' MET . 6.2 mt-30 -55.1 -43.69 74.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.3 ttm -37.24 154.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -108.13 161.05 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 50' ' ' LEU . 46.3 t -50.86 -56.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -43.91 -54.65 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' HG21 ' A' ' 24' ' ' VAL . 72.4 t80 -46.18 -36.43 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 30' ' ' VAL . 9.6 mttm -64.11 -47.25 80.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.7 mt-10 -61.56 -38.18 86.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.51 -51.24 70.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.823 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.1 pt -73.4 -31.3 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -40.74 -31.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.38 -54.55 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.1 m -66.41 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -54.7 -31.04 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.16 20.61 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.764 ' H ' HG23 ' A' ' 41' ' ' VAL . 85.6 mt -116.93 141.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.97 144.14 30.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -52.7 -41.75 64.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.39 -14.04 24.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 -16.75 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' OE1' HD11 ' A' ' 37' ' ' ILE . 72.3 mt-30 -76.98 165.79 24.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB3' HG23 ' A' ' 76' ' ' VAL . 63.6 ttt180 -168.59 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.72 HD12 HG13 ' A' ' 30' ' ' VAL . 60.3 mt -57.11 133.41 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 26.2 mt -136.33 126.21 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 68' ' ' VAL . 32.4 t80 -115.24 121.86 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.3 -65.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.23 33.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.6 mtt180 -139.45 142.18 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 123.66 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.773 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.6 mt -76.08 113.44 13.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.43 157.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 -21.89 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.59 167.79 21.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -113.7 155.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.75 -58.33 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.42 -54.93 14.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.773 ' CE1' HD23 ' A' ' 57' ' ' LEU . 69.4 m-85 -68.5 -14.51 63.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.08 49.43 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 52' ' ' TYR . 34.5 m -92.66 25.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.51 114.16 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.76 6.77 52.75 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -89.28 167.72 12.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.02 118.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.3 mt -95.56 172.4 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.4 m-70 -125.62 91.56 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.554 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -84.44 147.72 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.428 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.9 m -137.25 143.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -114.2 127.51 55.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.08 161.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.83 62.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 94.39 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 t -79.07 106.07 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 93.13 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -149.72 110.02 4.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.4 p -130.59 117.36 19.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -158.93 162.74 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.81 165.21 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.75 -80.22 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -62.59 129.62 41.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -66.7 109.43 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.39 172.73 22.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -97.44 139.76 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' CG ' HG23 ' A' ' 21' ' ' THR . 18.2 tt0 -93.98 144.61 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.583 HG13 HD11 ' A' ' 73' ' ' ILE . 58.2 t -145.75 129.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -107.0 165.52 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.4 t -150.13 116.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -104.0 112.5 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.0 p -81.06 172.67 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.96 57.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.17 35.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.31 74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -150.73 88.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -85.56 138.12 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -132.89 117.95 18.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -77.12 137.82 39.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.3 m-85 -133.61 143.69 48.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mm -116.32 104.21 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -128.02 163.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.44 122.62 15.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.14 -37.51 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' MET . 34.9 mt-30 -59.92 -42.33 93.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.1 ttm -37.02 145.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.5 p-10 -96.65 165.86 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.602 ' HA ' HD11 ' A' ' 63' ' ' LEU . 17.4 t -53.66 -48.35 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -51.66 -67.58 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -39.74 -55.8 1.85 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 50' ' ' LEU . 52.0 t80 -46.62 -48.27 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 32.3 mttt -52.89 -45.4 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.45 -32.2 73.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -67.79 -57.4 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 41' ' ' VAL . 28.6 pt -68.95 -33.25 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -41.02 -30.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.74 -55.14 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -66.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.4 m -54.03 -28.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 26.79 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.729 ' H ' HG23 ' A' ' 41' ' ' VAL . 33.3 mt -124.29 141.04 36.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.1 143.61 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 p -52.91 -44.02 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.21 -15.59 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -106.37 -23.17 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 55.5 mt-30 -80.03 159.42 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 56' ' ' VAL . 33.3 ttt180 -157.88 85.28 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.764 ' CB ' HD12 ' A' ' 57' ' ' LEU . 53.3 mt -63.5 124.89 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.22 126.4 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -114.71 121.37 43.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 69.27 -63.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.04 34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.98 131.82 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 56' ' ' VAL . 11.4 p -75.49 108.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.0 mt -55.91 124.42 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.49 142.95 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -63.31 -55.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -51.35 -39.91 58.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -58.85 166.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -120.17 157.13 29.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.68 -59.13 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASN . 42.5 tt0 -42.88 -54.27 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.01 -50.18 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' HD23 ' A' ' 57' ' ' LEU . 45.3 m-85 -71.85 -32.42 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.1 t30 81.53 47.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.54 17.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.12 114.48 6.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.17 6.26 52.45 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -88.93 167.1 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -107.86 113.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 10' ' ' VAL . 6.0 mt -91.99 171.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.0 m-70 -124.6 96.88 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HB3' HG13 ' A' ' 12' ' ' VAL . 7.3 tp -89.72 145.31 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 33.7 m -132.27 148.67 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.5 tt0 -117.65 124.47 48.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -51.06 171.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 78' ' ' ARG . . . 68.92 153.57 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.38 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 m -113.33 -59.19 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.45 -178.13 38.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.03 37.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 t -127.73 131.98 49.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -61.67 116.82 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.08 149.81 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.65 149.12 46.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.25 96.09 2.04 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -170.65 153.8 4.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 110.034 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.03 155.66 23.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.58 -174.9 44.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 10' ' ' VAL . 2.1 tt -92.36 135.18 34.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' CG ' HG23 ' A' ' 21' ' ' THR . 33.2 tt0 -90.1 144.58 25.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.571 HG13 HD11 ' A' ' 73' ' ' ILE . 51.2 t -145.65 128.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.2 mp -104.05 169.15 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.622 HG13 ' HB3' ' A' ' 75' ' ' LEU . 38.0 t -155.85 116.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -109.45 106.53 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.8 p -70.43 -173.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.72 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.33 28.16 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t 45.47 69.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.17 81.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 11' ' ' LEU . 84.8 m -76.28 133.62 40.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -132.4 117.37 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.59 135.15 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.6 m-85 -132.25 140.55 48.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mm -114.13 104.37 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 33' ' ' PHE . 27.1 m -126.56 163.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.3 121.69 13.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.01 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' MET . 54.5 mt-30 -52.88 -42.64 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.4 ttm -36.87 153.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 1.8 p-10 -106.96 160.25 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.55 ' HA ' HD11 ' A' ' 63' ' ' LEU . 51.1 t -48.4 -52.95 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -49.28 -61.15 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -48.29 -53.04 18.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HD1' HG21 ' A' ' 24' ' ' VAL . 76.8 t80 -51.13 -44.56 61.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 30' ' ' VAL . 8.0 mttp -54.82 -54.5 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 20.1 mt-10 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -58.97 -57.12 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.2 pt -67.81 -31.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -42.0 -29.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.59 -51.75 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.9 m -70.95 -63.45 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.787 HG23 ' H ' ' A' ' 43' ' ' ILE . 28.1 m -53.25 -32.09 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.68 20.03 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.787 ' H ' HG23 ' A' ' 41' ' ' VAL . 14.9 mt -117.32 139.96 26.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.92 144.87 31.08 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -50.91 -50.42 57.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.4 -20.65 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -98.61 -27.7 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' HG21 ' A' ' 41' ' ' VAL . 39.3 mt-30 -80.93 162.76 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.3 ttm180 -165.28 78.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.615 ' CB ' HD12 ' A' ' 57' ' ' LEU . 72.3 mt -51.37 134.49 28.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.43 HD11 ' HD3' ' A' ' 49' ' ' ARG . 34.2 mt -137.86 126.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' GLY . 61.2 t80 -109.96 122.57 47.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' TYR . 46.3 mm-40 66.33 -68.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.2 32.18 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -134.02 133.56 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 56' ' ' VAL . 4.7 p -75.75 116.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD22 ' CD2' ' A' ' 66' ' ' TYR . 4.6 mt -67.46 121.9 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -59.99 125.77 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -24.52 43.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -32.89 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.1 mmtp -63.12 166.66 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -114.47 155.0 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -60.04 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -42.71 -41.54 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -53.84 38.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD2' HD22 ' A' ' 57' ' ' LEU . 58.9 m-85 -72.7 -7.06 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.52 49.08 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 33.4 m -91.96 20.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.1 113.04 5.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.46 55.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -86.16 169.27 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -109.57 115.7 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.59 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.9 mt -95.12 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.59 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.1 m-70 -125.99 92.45 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -81.3 147.81 29.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -128.36 144.94 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.9 tt0 -113.44 119.25 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.06 134.23 56.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 61.44 105.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.06 4.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 t -151.45 136.43 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.98 98.86 0.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 145.47 31.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -114.69 118.91 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.1 p -103.76 122.68 45.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m 63.4 133.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -165.52 120.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.03 179.0 31.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -145.67 -57.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -99.77 127.48 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.56 -173.86 36.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -87.3 135.74 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 31.9 tt0 -92.65 145.69 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 73' ' ' ILE . 56.8 t -145.58 131.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HG23 ' A' ' 12' ' ' VAL . 7.1 mp -107.22 169.42 8.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 70.3 t -155.63 118.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -105.75 134.95 48.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -101.75 -177.4 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.39 45.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.29 32.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 m 43.18 78.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -156.2 84.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -90.16 138.76 31.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 10.6 mtt-85 -130.13 169.83 14.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -122.89 136.5 54.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' ILE . 65.6 m-85 -132.11 137.81 47.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.1 mm -112.52 104.3 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -126.66 163.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.61 122.44 9.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 64' ' ' GLN . . . -41.65 -43.9 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 30.9 mt-30 -52.7 -44.59 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.22 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.1 p-10 -100.63 168.49 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' HD11 ' A' ' 63' ' ' LEU . 13.4 t -56.1 -56.32 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 -61.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLU . 24.7 mt-10 -47.08 -59.67 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.4 t80 -43.86 -44.06 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.764 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.9 mttm -58.52 -41.78 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' GLU . 39.2 mt-10 -67.95 -32.38 72.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -57.62 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.5 pt -70.3 -29.54 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.3 -31.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.98 -56.23 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 m -63.15 -60.36 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 37' ' ' ILE . 26.8 m -59.36 -24.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t 65.09 25.41 12.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 44' ' ' PRO . 91.8 mt -118.7 142.34 31.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.91 143.22 29.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -58.57 -18.33 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.48 -31.3 47.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -93.65 -16.47 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.3 mt-30 -76.97 160.7 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.499 ' CG ' HG23 ' A' ' 56' ' ' VAL . 77.6 ttt180 -163.84 75.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 75' ' ' LEU . 44.2 mt -61.3 126.67 28.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.54 126.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 54' ' ' GLY . 90.3 t80 -111.67 126.8 55.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 66.71 -67.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.47 32.41 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -139.3 134.1 32.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 56' ' ' VAL . 9.8 p -73.23 106.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 66' ' ' TYR . 7.1 mt -49.82 116.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.83 142.72 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -57.31 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -34.74 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -61.01 163.68 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -118.59 155.86 30.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.809 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.59 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 7.8 tt0 -43.81 -47.95 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -53.57 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.747 ' CD2' HD22 ' A' ' 57' ' ' LEU . 40.1 m-85 -68.61 -26.86 65.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 1.8 t30 80.22 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.7 m -93.02 27.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.76 110.34 3.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.64 5.11 55.47 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -84.86 172.06 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.66 116.35 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 5.0 mt -94.84 173.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 65.1 m-70 -126.63 95.66 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB2' HD23 ' A' ' 50' ' ' LEU . 9.3 tp -86.67 150.65 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.98 143.11 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.6 tt0 -114.88 137.96 51.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -64.09 -175.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.42 154.63 62.68 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.55 3.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.412 1.743 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.0 p -126.69 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -155.83 97.9 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.4 9.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 t -105.92 102.6 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 p -74.66 124.59 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.4 70.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.81 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -107.08 0.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.1 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.55 107.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m 59.55 74.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.94 137.15 13.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 10' ' ' VAL . 3.5 tt -91.41 131.39 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' CG ' HG23 ' A' ' 21' ' ' THR . 48.8 tt0 -88.76 149.02 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' HD11 ' A' ' 73' ' ' ILE . 42.7 t -148.76 126.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.6 mp -102.24 156.42 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 75' ' ' LEU . 20.0 t -139.64 116.89 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -109.07 114.64 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -81.46 -165.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.8 48.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.92 30.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t 43.38 65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -136.94 87.27 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -85.18 134.62 34.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -131.89 119.74 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -78.23 134.1 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 52.4 m-85 -131.4 139.42 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -112.2 104.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -126.18 163.33 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -69.89 123.0 12.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.28 -36.23 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.2 mm-40 -61.53 -42.33 98.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -37.65 147.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -97.61 168.12 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 63' ' ' LEU . 12.6 t -55.82 -50.05 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 11.6 tttt -50.67 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 49.6 mt-10 -40.84 -56.9 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 50' ' ' LEU . 66.2 t80 -46.44 -48.7 18.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.7 mttt -52.93 -45.72 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.6 -32.22 73.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -68.82 -56.82 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.633 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.6 pt -70.05 -26.45 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -47.4 -28.68 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.05 -46.4 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -70.12 -60.12 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.801 HG21 ' OE1' ' A' ' 48' ' ' GLN . 31.7 m -60.33 -19.81 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.98 26.96 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 44' ' ' PRO . 76.0 mt -127.16 141.73 41.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 143.57 29.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 t -48.45 -50.29 31.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.3 -20.06 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -98.0 -27.33 14.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.801 ' OE1' HG21 ' A' ' 41' ' ' VAL . 43.3 mt-30 -84.09 159.32 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 56' ' ' VAL . 12.0 ttt180 -159.16 81.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.819 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -54.34 130.32 38.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.93 127.28 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 57' ' ' LEU . 51.6 t80 -137.37 130.23 30.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 66.12 10.61 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.24 43.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -128.61 124.81 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' CG ' ' A' ' 49' ' ' ARG . 7.2 p -61.52 106.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.5 mt -52.99 129.13 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.13 143.07 50.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -54.84 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.36 -36.2 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.49 168.08 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -121.2 157.91 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.24 -58.63 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 12.4 tt0 -43.06 -51.79 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.71 -48.29 4.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.7 ' CE1' HD23 ' A' ' 57' ' ' LEU . 51.9 m-85 -75.19 -28.37 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.5 t-20 79.37 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.62 15.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.97 114.36 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.49 55.22 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -90.96 166.3 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.24 113.49 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 74' ' ' HIS . 5.7 mt -91.2 172.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 73' ' ' ILE . 74.7 m-70 -124.2 95.37 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -85.84 140.55 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -126.45 142.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG3' HG21 ' A' ' 43' ' ' ILE . 9.5 tt0 -110.8 133.53 53.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -49.06 108.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.07 152.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.03 4.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 p -138.64 155.33 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.46 132.34 10.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 84' ' ' SER . 18.2 Cg_endo -74.97 65.58 6.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.3 OUTLIER 43.46 92.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -130.8 85.63 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.57 144.89 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -160.3 124.05 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 148.37 17.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.69 -56.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 78.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.21 177.19 18.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -91.56 132.63 36.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 21' ' ' THR . 51.2 tt0 -92.73 148.24 22.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.0 t -147.87 128.36 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.1 mp -101.26 169.29 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 11' ' ' LEU . 77.3 t -152.78 117.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -106.96 105.9 16.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.6 p -73.47 -165.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.31 55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -173.82 35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p 40.25 73.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -144.64 84.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -83.11 125.77 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -123.0 120.87 34.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -79.13 138.02 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.442 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' VAL . 62.1 m-85 -133.75 136.15 44.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.35 104.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -127.97 163.39 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 134.96 45.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -15.91 40.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.69 -25.73 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.516 ' O ' HD22 ' A' ' 63' ' ' LEU . 51.2 ttm -52.01 141.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.8 p-10 -89.18 169.07 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.834 HG13 HD12 ' A' ' 50' ' ' LEU . 26.4 t -56.09 -52.52 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLU . 4.3 ttpt -47.57 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 19.7 mt-10 -38.43 -58.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 24' ' ' VAL . 38.9 t80 -45.88 -42.96 13.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.7 mttt -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.23 -32.47 70.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -67.01 -57.56 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.815 ' O ' HG22 ' A' ' 41' ' ' VAL . 26.2 pt -68.49 -32.51 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -31.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -66.13 -57.8 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -62.79 -63.28 1.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.9 m -54.67 -32.15 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.65 23.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.4 mt -113.79 141.6 26.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 148.09 35.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -65.86 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.41 -12.4 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 10.9 mtpp -113.93 -3.45 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 75' ' ' LEU . 41.6 mt-30 -89.18 162.19 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.618 ' HE ' HG21 ' A' ' 56' ' ' VAL . 27.8 ttt180 -162.33 84.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 30' ' ' VAL . 59.7 mt -64.83 130.29 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 49' ' ' ARG . 24.9 mt -136.08 126.53 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' GLY . 58.9 t80 -113.86 121.65 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 68.57 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -175.56 33.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.76 133.77 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.618 HG21 ' HE ' ' A' ' 49' ' ' ARG . 9.9 p -75.97 111.71 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.793 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -61.45 121.66 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.54 138.0 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -38.73 90.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -39.72 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -62.31 161.06 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 29' ' ' ASN . 2.7 mttm -110.44 160.69 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.2 -57.51 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASN . 36.3 tt0 -43.95 -52.23 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -49.58 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.2 m-85 -74.02 -29.49 61.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.2 t-20 81.72 42.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.2 m -88.97 14.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.95 114.26 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.09 5.39 53.13 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -88.8 170.68 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.67 112.24 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 10' ' ' VAL . 10.1 mt -91.87 170.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.526 ' H ' HG22 ' A' ' 73' ' ' ILE . 73.4 m-70 -124.57 99.84 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -94.43 142.84 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 ' H ' HD12 ' A' ' 75' ' ' LEU . 35.0 m -131.84 145.83 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -108.62 137.06 47.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -64.56 168.16 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.29 155.04 49.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 151.76 40.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 t -162.34 137.77 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.053 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 44.3 -161.12 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.04 130.76 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.75 124.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.1 101.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.72 110.73 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.48 173.44 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.88 86.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.92 103.81 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.87 -158.7 28.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 HG23 ' A' ' 10' ' ' VAL . 2.8 tt -91.65 133.47 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.1 tt0 -88.44 145.57 25.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.6 t -148.1 128.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.522 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -104.25 169.19 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 69.1 t -155.41 127.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.07 133.18 56.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.4 p -121.96 -174.85 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.28 -47.12 66.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -46.76 -37.24 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 2.9 t 79.12 48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -130.8 82.06 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.522 ' CG2' HD23 ' A' ' 11' ' ' LEU . 67.9 m -48.66 135.31 14.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -127.8 117.37 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.56 136.35 37.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' VAL . 60.2 m-85 -132.97 136.66 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -110.67 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.3 m -126.22 163.28 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.72 122.49 17.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.65 -38.07 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -59.26 -43.01 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.9 ttm -38.89 149.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -105.17 153.34 21.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.955 HG13 HD12 ' A' ' 50' ' ' LEU . 70.3 t -43.28 -47.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -47.35 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLU . 34.8 mt-10 -51.81 -54.26 30.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 58.9 t80 -44.29 -34.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.781 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 6.4 mttm -70.34 -41.71 72.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.4 mt-10 -67.94 -30.19 69.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -68.82 -60.51 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.7 pt -68.59 -27.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.781 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.94 -30.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -73.23 -54.91 7.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -62.33 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.8 m -54.73 -31.11 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.94 26.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.765 ' H ' HG23 ' A' ' 41' ' ' VAL . 89.2 mt -123.53 141.8 37.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.88 29.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -50.2 -47.01 54.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.21 -18.75 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -98.39 -27.66 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' HG2' HD11 ' A' ' 75' ' ' LEU . 61.3 mt-30 -67.69 162.33 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.597 ' CD ' HD11 ' A' ' 51' ' ' ILE . 46.6 ttt180 -166.66 73.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.955 HD12 HG13 ' A' ' 30' ' ' VAL . 62.0 mt -56.73 127.63 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.597 HD11 ' CD ' ' A' ' 49' ' ' ARG . 20.6 mt -135.2 126.35 45.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.662 ' CD2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.21 121.26 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.3 -65.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.52 34.06 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 3.1 mtt-85 -137.65 138.09 39.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 56' ' ' VAL . 9.1 p -80.34 111.23 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mt -63.21 121.9 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -63.65 140.8 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.8 -31.37 71.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.8 -38.34 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.7 mmtt -59.06 169.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -117.3 154.71 30.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.4 -60.16 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -44.94 -45.35 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.59 -56.24 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 55.1 m-85 -67.63 -23.03 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.8 t-20 78.22 44.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG12 ' CD2' ' A' ' 52' ' ' TYR . 31.2 m -93.38 25.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.85 112.11 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.36 8.65 59.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.61 169.17 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.16 119.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.7 mt -96.81 175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.655 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.0 m-70 -127.25 89.9 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 13.5 tp -82.12 152.23 26.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.6 m -150.56 156.22 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.64 105.95 14.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 47.59 -175.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.66 155.38 66.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.08 26.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.5 p 40.57 89.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.0 72.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.17 31.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.5 p -144.01 169.0 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m 60.48 -93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t 43.61 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -163.76 150.85 12.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.54 106.47 1.88 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -176.9 -58.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -149.67 163.28 38.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.12 160.5 8.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 10' ' ' VAL . 1.9 tt -96.07 135.33 38.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' CG ' HG23 ' A' ' 21' ' ' THR . 34.8 tt0 -91.78 144.39 25.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.551 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 58.4 t -144.54 127.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.5 mp -107.02 157.01 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 75' ' ' LEU . 22.9 t -141.21 131.44 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -116.18 117.92 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' ASP . 55.9 p -93.16 162.31 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.27 61.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' THR . 33.2 m-20 -163.95 32.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.6 m 39.6 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -166.2 117.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -107.51 138.2 44.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 73.1 mtt180 -125.04 168.82 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.457 HG23 ' CG ' ' A' ' 9' ' ' GLU . 2.7 m -128.55 131.26 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.79 139.97 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -112.89 104.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.82 163.33 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.53 123.27 9.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.19 -41.16 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 46.3 mt-30 -55.45 -42.42 74.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.0 ttm -36.95 145.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.0 p-10 -99.0 156.74 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 63' ' ' LEU . 73.2 t -45.42 -53.85 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.64 -62.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 50' ' ' LEU . 51.7 t80 -44.82 -44.25 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 25.1 mttt -58.05 -44.66 87.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.38 -32.1 71.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.01 -57.1 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.805 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.8 pt -68.95 -33.96 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.6 -31.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.41 -58.3 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -63.67 -63.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -52.72 -30.82 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.53 24.07 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.776 ' H ' HG23 ' A' ' 41' ' ' VAL . 53.0 mt -121.38 141.53 33.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 143.56 29.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLN . 55.9 p -50.97 -55.43 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -48.74 -23.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -96.36 -28.47 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 55.7 mt-30 -74.36 162.42 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.5 ttt180 -166.08 82.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 31.5 mt -59.47 138.32 57.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.3 mt -137.77 128.37 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 48.0 t80 -130.48 121.5 25.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 1.9 tm0? 84.78 -39.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.24 -21.39 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 152.59 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.9 p -83.53 146.05 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 13.1 mt -86.33 130.02 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.65 121.95 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -40.22 63.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.84 -33.62 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -66.16 170.95 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.93 156.47 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.762 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.85 -59.4 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -41.08 -50.08 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.79 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HD23 ' A' ' 57' ' ' LEU . 65.9 m-85 -68.23 -29.82 68.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.3 t-20 81.69 46.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.58 33.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.11 113.32 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 4.53 56.11 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.07 167.62 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.86 112.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 10' ' ' VAL . 8.1 mt -93.64 168.62 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' HG22 ' A' ' 73' ' ' ILE . 80.8 m-70 -120.93 99.38 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 HD23 ' A' ' 50' ' ' LEU . 26.2 tp -88.1 148.76 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 28.7 m -130.81 148.77 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HB2' HD13 ' A' ' 43' ' ' ILE . 5.4 tt0 -125.26 120.82 32.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -48.18 143.53 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.96 154.38 49.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.235 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 71.91 4.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.93 -55.72 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.35 97.37 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -131.36 161.05 33.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -60.47 103.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.34 122.87 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.79 109.23 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.53 -125.11 8.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p 47.88 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -53.48 133.33 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.26 169.07 37.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.3 tt -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 27.5 tt0 -90.61 143.76 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' A' ' 8' ' ' LEU . 44.3 t -144.76 131.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.8 mp -106.62 169.17 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.0 t -157.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -110.16 115.55 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -82.16 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -72.83 59.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -173.28 34.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.3 p 39.19 68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -144.42 100.14 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.424 ' CG2' HD23 ' A' ' 11' ' ' LEU . 21.5 m -94.62 140.86 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -137.44 119.91 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.55 137.82 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 10' ' ' VAL . 57.8 m-85 -133.33 138.43 46.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mm -112.28 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -126.38 163.35 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.98 122.94 9.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.59 -43.37 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.794 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' MET . 41.1 mt-30 -52.58 -45.13 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.7 ttm -37.8 149.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.2 p-10 -101.1 168.33 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.63 HG12 ' HE3' ' A' ' 34' ' ' LYS . 17.8 t -56.28 -59.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -43.25 -57.29 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLU . 8.5 mt-10 -51.01 -59.22 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 24' ' ' VAL . 45.6 t80 -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.2 mttt -60.28 -43.26 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.3 mt-10 -66.48 -31.39 72.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -71.01 -58.06 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.635 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.59 HD11 ' OE1' ' A' ' 48' ' ' GLN . 8.0 pt -67.99 -27.88 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.4 -29.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.06 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 m -56.84 -58.79 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.875 HG23 ' H ' ' A' ' 43' ' ' ILE . 31.7 m -62.0 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 71.12 16.04 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 41' ' ' VAL . 92.2 mt -112.63 140.39 23.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 148.09 34.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.8 p -55.82 -25.18 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.51 -14.52 62.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HE2' ' CD ' ' A' ' 44' ' ' PRO . 41.5 mtmt -110.35 -25.93 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.59 ' OE1' HD11 ' A' ' 37' ' ' ILE . 44.8 mt-30 -70.82 156.8 39.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.608 ' HD3' HD11 ' A' ' 51' ' ' ILE . 43.1 ttt180 -161.88 74.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HB3' HD12 ' A' ' 57' ' ' LEU . 50.9 mt -52.71 131.33 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.608 HD11 ' HD3' ' A' ' 49' ' ' ARG . 25.8 mt -136.79 126.46 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -117.55 121.56 41.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.34 -64.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.55 34.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.65 144.98 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.0 p -84.22 108.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.3 mt -57.68 117.2 3.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.7 163.65 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -59.13 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -27.69 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.51 165.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -120.98 155.04 35.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.783 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.73 -59.59 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ASN . 13.4 tt0 -42.12 -51.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.19 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.631 ' CE1' HD23 ' A' ' 57' ' ' LEU . 47.2 m-85 -66.6 -26.27 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER 77.26 42.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.668 HG12 ' CE2' ' A' ' 52' ' ' TYR . 31.6 m -88.96 14.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.69 116.03 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.15 9.56 48.65 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -89.81 176.09 6.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -114.45 117.63 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.0 mt -97.78 174.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.63 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.4 m-70 -128.36 92.83 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 76' ' ' VAL . 3.0 tp -83.04 152.97 25.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.1 m -142.57 142.91 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' HB2' HD13 ' A' ' 43' ' ' ILE . 4.3 tt0 -113.75 133.8 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 131.17 43.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.25 118.13 62.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 70.0 5.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.6 155.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.88 -79.99 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 66.41 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.61 161.1 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -43.57 141.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -152.37 -57.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.72 153.01 43.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 -156.89 8.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.64 113.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.63 80.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.15 177.43 20.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 2.5 tt -97.98 133.79 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 37.9 tt0 -90.42 144.6 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 46.8 t -145.73 128.1 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.5 mp -103.07 169.2 8.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' LEU . 55.7 t -157.27 114.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -104.44 117.44 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -81.94 176.74 9.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.8 56.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.43 35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t 39.62 72.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -145.72 79.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 72.5 m -78.83 138.93 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -134.09 119.58 19.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.8 135.21 37.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . 53.4 m-85 -131.86 140.56 49.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -114.78 104.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.2 m -125.65 163.42 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.22 122.95 10.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.81 -39.03 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' MET . 9.7 mt-30 -56.46 -44.27 80.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.7 ttm -37.54 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.1 p-10 -104.46 175.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.541 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.0 t -62.7 -56.07 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -58.29 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.0 mt-10 -48.66 -57.29 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 44.5 t80 -44.82 -39.21 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.2 mttp -65.76 -38.9 90.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.7 mt-10 -68.31 -33.34 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -68.78 -58.18 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.567 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.5 pt -68.38 -28.72 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.32 -31.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -65.22 -58.97 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.789 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.6 m -55.06 -30.59 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m 71.71 20.69 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.789 ' H ' HG23 ' A' ' 41' ' ' VAL . 41.5 mt -117.34 141.02 28.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.96 29.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 p -51.42 -48.63 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.95 -18.85 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -102.23 -23.91 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 34' ' ' LYS . 41.4 mt-30 -78.08 158.3 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.8 ttt180 -159.73 79.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CB ' HD12 ' A' ' 57' ' ' LEU . 34.4 mt -59.75 141.97 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -139.46 128.28 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 53' ' ' GLN . 59.1 t80 -128.89 120.83 26.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 2.7 mm100 83.5 -37.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.28 -19.75 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 139.66 31.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.8 p -66.8 152.45 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 50' ' ' LEU . 16.8 mt -95.32 117.45 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -63.33 134.19 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -59.91 4.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.52 -41.88 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 167.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -120.37 153.25 36.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.29 -60.66 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASN . 11.6 tt0 -41.91 -52.65 4.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -49.85 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE1' HD23 ' A' ' 57' ' ' LEU . 43.2 m-85 -70.35 -29.34 65.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER 81.55 40.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.65 15.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 115.22 7.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.21 6.13 51.96 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -87.63 167.37 13.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.57 110.67 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.4 mt -89.88 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.539 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.5 m-70 -121.53 95.42 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 76' ' ' VAL . 19.2 tp -82.51 150.5 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.619 ' H ' HD12 ' A' ' 75' ' ' LEU . 18.8 m -142.22 147.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -118.55 122.26 42.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -48.15 140.46 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.05 155.39 55.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.76 5.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.51 79.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.71 157.29 20.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' SER . 18.2 Cg_endo -74.97 -27.93 9.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t 49.09 -93.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.0 t -110.13 -58.87 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.34 78.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t 61.63 123.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.74 92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -170.26 109.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -45.78 166.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.01 166.25 15.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 tt -96.51 131.26 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' CG ' HG23 ' A' ' 21' ' ' THR . 54.0 tt0 -93.75 148.2 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.566 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.5 t -146.46 130.4 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.6 mp -104.31 169.26 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.64 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.3 t -154.9 118.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.88 144.43 32.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -127.09 -175.45 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.7 mm? -56.14 -50.48 71.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -29.12 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.15 60.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -120.19 60.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.9 m -38.83 124.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -124.49 121.07 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.499 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -80.72 136.68 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 59.3 m-85 -131.4 138.56 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -109.93 105.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -130.5 163.45 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.74 124.68 18.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . . . -49.07 -25.44 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.43 -36.2 63.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.6 ttm -38.91 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.6 p-10 -101.63 158.07 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.5 t -45.7 -53.72 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' CB ' ' HG3' ' A' ' 28' ' ' MET . 33.0 mt-10 -45.79 -55.42 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 54.7 t80 -49.22 -42.18 39.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 23.8 mttt -61.05 -46.07 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.16 -32.54 73.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -66.58 -58.0 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.791 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -69.5 -30.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.65 -35.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -58.29 -62.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' ILE . 30.5 m -58.82 -21.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER 62.95 25.83 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.706 HG23 ' HD2' ' A' ' 44' ' ' PRO . 85.7 mt -120.43 142.42 33.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 143.73 29.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 10.5 p -53.12 -45.67 68.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.03 -17.29 16.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 15.6 mtpt -102.77 -20.53 14.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.779 ' OE1' HD11 ' A' ' 37' ' ' ILE . 68.6 mt-30 -79.41 155.84 28.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 56' ' ' VAL . 37.0 ttt180 -155.58 84.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.65 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -67.43 135.33 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.8 mt -137.13 128.59 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 52.1 t80 -126.21 122.05 34.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 2.0 tm0? 81.38 -43.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.58 -26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 150.84 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.8 p -82.59 156.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' CB ' ' A' ' 50' ' ' LEU . 19.3 mt -98.73 124.51 43.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.95 122.84 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -52.5 -22.19 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -82.68 -34.88 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -65.86 171.11 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.17 156.34 25.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.35 -59.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -44.05 -45.12 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -27.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.5 m-85 -101.38 -23.82 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 16.8 t30 76.36 49.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 17.0 m -92.83 31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.66 117.84 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.84 8.19 46.82 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -90.05 167.47 12.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.6 109.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.4 mt -88.36 170.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 83.8 m-70 -121.06 96.69 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 12' ' ' VAL . 5.3 tp -90.42 153.22 20.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.32 144.36 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -116.36 129.21 56.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.235 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -41.15 144.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.5 154.41 78.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 79.51 2.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.6 t -153.22 135.06 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.04 157.3 33.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.81 19.63 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -58.7 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.7 m 57.49 165.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -172.74 -58.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -88.64 169.49 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.5 139.71 5.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.148 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 59.85 156.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -48.63 121.59 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.9 163.48 33.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.2 tt -98.74 134.44 41.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 65.6 tt0 -86.38 145.55 26.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG13 HD11 ' A' ' 73' ' ' ILE . 49.7 t -148.43 130.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -106.51 169.28 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 75' ' ' LEU . 59.8 t -156.05 117.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 109.88 20.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -77.14 -175.46 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.733 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -83.24 55.7 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.6 t0 -168.66 34.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 50.3 m 39.17 66.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -138.14 97.43 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.523 ' CG2' HD23 ' A' ' 11' ' ' LEU . 90.5 m -91.23 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -134.41 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.24 141.94 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 69.2 m-85 -137.72 136.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.1 mm -112.16 104.26 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 35.6 m -127.19 163.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.46 121.36 15.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.1 -45.67 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' MET . 37.2 mm-40 -50.71 -44.51 58.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 48.9 ttm -36.18 149.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.0 p-10 -99.77 168.8 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 63' ' ' LEU . 15.9 t -55.69 -55.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -46.53 -62.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 28.1 mt-10 -44.54 -59.13 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.0 t80 -44.13 -42.81 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.6 mttt -61.9 -45.93 91.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.4 mt-10 -60.71 -33.66 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.06 -61.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.635 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.9 pt -63.34 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -46.55 -25.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -71.93 -58.01 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -59.15 -62.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' H ' ' A' ' 43' ' ' ILE . 34.0 m -58.14 -30.52 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.6 4.72 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.855 ' H ' HG23 ' A' ' 41' ' ' VAL . 81.6 mt -97.59 142.32 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 143.52 29.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 p -53.18 -46.03 68.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.9 -20.38 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -100.68 -27.49 13.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.0 mt-30 -76.21 161.42 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 21.1 ttm105 -163.27 89.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' CB ' HD12 ' A' ' 57' ' ' LEU . 30.5 mt -62.05 126.86 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 56' ' ' VAL . 19.9 mt -132.12 126.2 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.609 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.01 121.18 40.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.46 -63.49 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.6 34.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.83 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 51' ' ' ILE . 22.8 t -73.17 103.04 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' ' 66' ' ' TYR . 7.8 mt -52.51 121.48 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' O ' HG11 ' A' ' 30' ' ' VAL . 9.5 mp0 -61.04 167.89 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -53.4 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -24.74 47.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 167.25 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.16 157.27 30.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.67 -57.19 13.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -43.36 -48.8 7.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -51.86 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.843 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.7 m-85 -70.59 -31.56 68.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 5.0 t-20 81.92 45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.609 HG12 ' CE2' ' A' ' 52' ' ' TYR . 19.9 m -92.84 31.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.73 110.03 3.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.34 1.36 60.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.86 173.18 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.23 120.14 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.654 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.3 mt -97.79 175.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.654 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.8 m-70 -130.61 94.67 3.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -86.08 148.08 25.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.9 m -132.02 145.04 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.0 tt0 -111.3 124.22 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -52.47 153.56 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.32 153.78 43.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.08 7.62 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -133.98 91.54 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.39 -153.06 24.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.98 109.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -66.96 150.07 49.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.12 -58.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -81.36 166.82 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.976 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.54 118.86 6.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.22 158.42 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -64.93 -56.02 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 155.27 0.12 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 10' ' ' VAL . 3.1 tt -88.67 132.29 34.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -91.53 146.36 23.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 73' ' ' ILE . 45.1 t -144.53 130.54 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.6 mp -106.56 155.72 19.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 75' ' ' LEU . 55.7 t -137.76 132.73 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -115.91 134.56 54.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.3 p -113.76 168.44 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.52 60.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.8 t0 -169.87 33.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 69.8 m 38.58 55.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -128.87 110.77 12.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -109.98 127.95 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 45.3 mtt180 -120.91 171.93 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -126.82 136.47 52.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.462 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 54.9 m-85 -132.8 139.51 47.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -112.8 104.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -127.02 163.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -70.81 123.47 11.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.08 -36.59 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' MET . 1.6 mt-30 -60.54 -42.72 97.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.1 ttm -37.13 148.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.1 p-10 -97.2 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HA ' HD11 ' A' ' 63' ' ' LEU . 8.7 t -56.78 -49.12 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 12.4 ttpt -51.52 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 59.2 mt-10 -38.68 -53.92 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 24' ' ' VAL . 70.3 t80 -52.46 -44.74 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 24.3 mttt -57.14 -41.89 79.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.46 -37.3 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -63.03 -50.36 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.761 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.1 pt -74.29 -32.82 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -44.24 -27.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.5 -57.01 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -65.75 -63.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 37' ' ' ILE . 33.9 m -53.04 -33.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.15 29.68 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . 24.4 mt -126.61 140.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.9 143.16 29.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -54.97 -40.03 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.52 -12.8 35.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 5.4 mtpp -110.37 -23.34 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 51.0 mt-30 -74.38 172.6 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HE ' HG21 ' A' ' 56' ' ' VAL . 41.3 ttt180 -168.7 77.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 ' CB ' HD12 ' A' ' 57' ' ' LEU . 39.4 mt -58.46 131.96 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 HD11 ' HD3' ' A' ' 49' ' ' ARG . 15.8 mt -134.89 126.44 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.6 t80 -109.32 125.03 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 66.63 -68.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -171.33 31.9 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.95 137.68 34.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG21 ' HE ' ' A' ' 49' ' ' ARG . 7.6 p -70.86 149.21 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 50' ' ' LEU . 24.6 mt -99.66 124.54 44.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -71.6 131.45 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -55.69 27.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -40.72 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.52 167.68 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -118.23 159.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -61.15 -57.99 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -45.54 -46.25 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.13 -34.35 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CD2' HD22 ' A' ' 57' ' ' LEU . 46.8 m-85 -92.04 -26.72 18.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 77.74 49.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.46 24.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.67 116.54 8.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.5 47.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.35 166.37 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.2 113.38 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.617 HD11 HG13 ' A' ' 10' ' ' VAL . 5.4 mt -90.69 172.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.572 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.6 m-70 -126.21 96.53 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.5 tp -87.73 148.7 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 75' ' ' LEU . 27.5 m -141.81 144.38 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 18.6 tp10 -108.69 125.06 51.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.75 158.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.65 105.53 38.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 87.28 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 t 45.09 85.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.98 132.37 1.47 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.81 6.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 t -160.18 89.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.54 -59.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.078 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 10' ' ' VAL . 1.5 tt -103.77 135.87 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.664 ' HG3' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -90.23 139.84 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 HD23 ' A' ' 8' ' ' LEU . 66.3 t -141.41 124.67 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 11' ' ' LEU . 5.5 mp -100.82 156.1 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.17 117.65 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -107.21 106.98 17.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 p -72.5 -171.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.58 44.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -161.99 34.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t 42.09 75.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -146.38 85.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 m -82.53 129.47 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -129.61 117.31 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -75.2 138.56 42.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' VAL . 61.5 m-85 -134.21 139.16 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 mm -112.54 104.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.8 m -126.43 163.29 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.54 122.81 18.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.3 -32.82 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.43 -41.53 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -38.13 148.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.6 p-10 -97.64 170.39 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' HD11 ' A' ' 63' ' ' LEU . 11.9 t -58.5 -51.33 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -48.58 -67.6 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.459 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 42.8 mt-10 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HD2' HD11 ' A' ' 50' ' ' LEU . 63.9 t80 -41.54 -45.15 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -58.79 -43.14 90.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 26.5 mt-10 -65.99 -32.19 73.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.93 -59.24 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.8 pt -68.02 -27.4 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -42.93 -30.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.12 -57.28 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -60.8 -62.08 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 37' ' ' ILE . 16.8 m -54.57 -32.09 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.15 14.49 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 41' ' ' VAL . 25.0 mt -112.92 140.19 23.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.0 Cg_endo -75.03 145.39 31.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.1 p -49.57 -55.08 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.86 -24.23 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 -27.88 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' SER . 46.1 mt-30 -75.77 170.12 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 23.7 ttt180 -174.35 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 27.5 mt -55.91 127.98 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -124.85 135.82 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -144.09 128.06 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.23 23.9 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.7 22.98 68.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.27 150.5 43.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 56' ' ' VAL . 8.1 p -90.92 110.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.6 mt -59.68 127.21 30.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -68.72 146.45 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.28 -52.78 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -29.22 63.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 165.17 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -118.76 158.14 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.785 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.71 -58.69 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASN . 17.6 tt0 -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -49.11 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 47.8 m-85 -74.69 -31.59 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 81.47 47.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 73' ' ' ILE . 6.0 m -91.1 18.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.94 120.0 21.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.65 11.18 41.16 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -94.07 166.04 12.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -106.59 110.49 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 10' ' ' VAL . 10.4 mt -89.69 163.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.42 99.91 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.617 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 49' ' ' ARG . 3.4 tp -89.68 139.36 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -124.16 143.19 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 4.5 tt -94.54 130.17 41.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.537 ' CG ' HG23 ' A' ' 21' ' ' THR . 26.2 tt0 -89.06 147.83 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.502 HG13 HD11 ' A' ' 73' ' ' ILE . 62.1 t -146.05 131.58 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.4 mp -108.38 167.68 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 11' ' ' LEU . 34.9 t -158.85 130.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -118.97 110.46 17.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 p -78.9 -162.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.7 mp -91.34 53.07 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.07 26.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m 39.48 62.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 108.47 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -96.41 131.0 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -121.85 126.83 49.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.537 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -82.13 136.26 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.5 m-85 -130.82 141.19 50.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -113.0 104.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.9 m -126.28 163.35 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.47 122.21 8.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.58 -41.34 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.7 mt-30 -55.84 -43.86 77.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.9 ttm -37.33 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -100.82 172.87 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.584 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.5 t -59.39 -53.7 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 1.2 ttpt -48.39 -67.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.5 mt-10 -38.81 -59.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 24' ' ' VAL . 67.8 t80 -45.2 -48.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 8.4 mttp -54.87 -42.42 72.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.13 -33.45 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.7 -56.67 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.7 pt -68.14 -33.56 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.48 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.55 40.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.6 m -64.53 -63.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 ' H ' ' A' ' 43' ' ' ILE . 32.8 m -56.4 -25.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.26 28.58 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.702 HG23 ' HD2' ' A' ' 44' ' ' PRO . 81.9 mt -126.4 142.37 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.702 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 143.57 29.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.424 1.75 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 p -50.95 -48.82 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -52.99 -27.1 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -92.61 -25.79 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' OE1' HG21 ' A' ' 41' ' ' VAL . 42.5 mt-30 -78.94 166.17 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' HG3' HG23 ' A' ' 56' ' ' VAL . 33.7 ttm180 -165.07 81.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' CB ' HD12 ' A' ' 57' ' ' LEU . 37.9 mt -60.37 125.28 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.502 HD11 ' HG2' ' A' ' 49' ' ' ARG . 15.6 mt -129.55 126.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 53' ' ' GLN . 90.3 t80 -110.83 122.02 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 52' ' ' TYR . 1.6 mm100 67.04 -66.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.67 32.53 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -134.81 136.86 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 49' ' ' ARG . 4.5 p -81.24 104.59 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.844 HD22 ' CD2' ' A' ' 66' ' ' TYR . 5.3 mt -51.73 127.0 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.43 137.94 44.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -55.74 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -53.08 -37.33 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -59.31 163.52 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -117.01 153.82 31.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.17 -59.59 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -47.35 -38.47 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.04 -41.71 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.844 ' CD2' HD22 ' A' ' 57' ' ' LEU . 41.1 m-85 -83.97 -8.8 59.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 61.29 45.1 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 66' ' ' TYR . 29.4 m -89.35 14.29 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.71 121.12 25.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.02 12.06 41.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -94.83 167.44 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -108.27 112.52 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.2 mt -91.06 172.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.586 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.2 m-70 -125.81 97.4 5.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.582 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.5 tp -85.79 146.73 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.0 m -140.71 142.53 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.6 tt -91.52 133.97 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.481 ' CG ' HG23 ' A' ' 21' ' ' THR . 40.5 tt0 -87.96 144.34 26.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.511 ' CG2' HD23 ' A' ' 8' ' ' LEU . 40.8 t -145.91 128.9 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.3 mp -103.13 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 75' ' ' LEU . 24.5 t -154.86 124.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -114.09 119.39 36.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.3 p -86.66 170.69 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.74 59.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -177.76 36.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.84 72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -143.32 95.52 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -90.36 139.24 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -138.17 117.21 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.61 135.97 37.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' VAL . 58.8 m-85 -133.26 142.3 48.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.21 104.34 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 33' ' ' PHE . 29.0 m -126.26 163.34 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.57 122.58 14.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.59 -35.71 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 5.3 mt-30 -62.18 -41.98 98.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.3 ttm -37.56 149.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.493 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.8 p-10 -98.03 172.5 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.576 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.7 t -59.65 -48.9 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 2.0 ttpp -52.59 -66.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 38.6 mt-10 -40.26 -53.88 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 24' ' ' VAL . 54.0 t80 -50.65 -43.48 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.7 mttt -59.34 -44.98 92.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.15 -33.05 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.09 -57.4 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -68.97 -31.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.93 -32.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.59 -52.99 25.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ILE . 58.0 m -60.43 -58.87 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.1 m -65.07 -23.99 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 72.8 8.64 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.806 ' H ' HG23 ' A' ' 41' ' ' VAL . 80.8 mt -105.53 142.09 24.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 143.51 29.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLN . 4.2 t -46.7 -54.14 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.63 -21.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE2' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mtmt -92.4 -28.47 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.552 ' OE1' HG21 ' A' ' 41' ' ' VAL . 48.8 mt-30 -84.87 162.84 19.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 56' ' ' VAL . 2.7 ttt180 -162.24 76.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.791 ' CB ' HD12 ' A' ' 57' ' ' LEU . 56.4 mt -50.0 136.37 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.79 126.67 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CB ' HD21 ' A' ' 57' ' ' LEU . 54.1 t80 -123.96 123.75 41.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 67.22 17.59 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.04 81.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.95 129.81 46.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 49' ' ' ARG . 4.7 p -65.63 139.16 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 50' ' ' LEU . 6.0 mt -88.89 126.29 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.21 141.41 57.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -52.49 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.03 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -55.96 164.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -118.8 156.99 28.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.79 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -58.59 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -42.25 -44.22 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -54.29 23.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 57' ' ' LEU . 56.2 m-85 -69.9 -12.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 61.18 46.41 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 66' ' ' TYR . 32.8 m -88.67 11.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.69 118.24 9.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.41 10.39 42.27 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -93.32 166.13 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.2 t -105.81 112.77 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.6 mt -91.97 169.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 90.8 m-70 -119.51 96.94 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -84.24 148.73 26.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.71 142.13 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.76 ' HG3' HD13 ' A' ' 43' ' ' ILE . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 10' ' ' VAL . 3.9 tt -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 21' ' ' THR . 30.4 tt0 -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.556 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.3 t -144.73 129.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 mp -102.32 168.99 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.545 HG13 ' HB3' ' A' ' 75' ' ' LEU . 71.9 t -156.57 116.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.12 121.32 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -87.81 179.6 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.56 54.23 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -168.73 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.7 70.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -143.54 90.58 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 11' ' ' LEU . 75.3 m -87.95 135.83 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -133.48 120.23 20.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -81.04 135.98 35.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 61.7 m-85 -131.62 139.49 49.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.87 104.33 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.55 163.21 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.2 122.61 15.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.85 -40.09 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.6 mm-40 -56.55 -43.98 80.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.71 146.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -95.84 177.82 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.545 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.4 t -63.35 -57.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.39 -64.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLU . 19.8 mt-10 -42.22 -59.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CD1' HG21 ' A' ' 24' ' ' VAL . 47.8 t80 -45.4 -40.88 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.796 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.8 mttt -65.13 -35.51 81.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . 37.1 mt-10 -71.51 -35.07 70.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -67.37 -56.29 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.755 ' O ' HG22 ' A' ' 41' ' ' VAL . 14.3 pt -68.5 -31.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.63 -33.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.21 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -62.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.3 m -60.98 -32.73 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 78.43 14.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.704 ' H ' HG23 ' A' ' 41' ' ' VAL . 71.6 mt -106.86 141.19 22.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 p -55.94 -44.49 78.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.0 -19.81 14.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -100.82 -25.74 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -71.18 170.88 12.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 53.4 ttt180 -171.72 76.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.86 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.4 mt -57.38 131.42 50.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -134.14 128.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 66.9 t80 -134.66 121.55 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 87.42 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.36 -17.07 1.68 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.23 133.91 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.12 135.43 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' LEU . 12.2 mt -76.67 126.53 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.48 137.11 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -43.9 98.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -30.23 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -68.95 168.41 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -120.26 155.93 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.99 -60.24 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -44.91 -43.82 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.37 -53.53 21.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.6 m-85 -70.06 -16.03 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 35.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 26.9 m -81.81 4.6 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.19 41.38 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -94.17 166.21 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -105.32 116.0 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.5 mt -94.42 172.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 55.2 m-70 -125.57 94.74 4.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -87.67 137.25 32.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m -122.41 145.54 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.582 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.6 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 10' ' ' VAL . 2.4 tt -96.43 134.29 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.4 tt0 -91.87 145.73 24.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.1 t -146.24 129.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mp -105.67 169.12 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 11' ' ' LEU . 25.6 t -156.71 125.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 137.15 52.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 p -120.12 178.94 4.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -25.83 62.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -16.86 62.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.98 71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.048 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -149.02 64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.434 ' CG2' HD23 ' A' ' 11' ' ' LEU . 87.8 m -38.76 135.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -130.22 117.6 20.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.29 135.62 37.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.1 m-85 -132.04 138.37 48.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mm -111.0 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -128.02 163.29 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.75 123.19 9.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.02 -38.57 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -57.65 -43.89 85.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 54.4 ttm -38.19 147.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.1 p-10 -98.24 166.41 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 34' ' ' LYS . 20.9 t -54.58 -53.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -46.08 -60.78 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLU . 32.8 mt-10 -49.01 -57.95 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 59.8 t80 -44.74 -38.24 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.76 ' HD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mttm -66.53 -38.7 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 30.8 mt-10 -70.94 -33.67 70.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.52 -49.45 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.834 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.2 pt -77.04 -29.34 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.71 -35.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.77 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -62.0 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.853 HG23 ' H ' ' A' ' 43' ' ' ILE . 26.9 m -53.58 -31.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.84 16.56 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.853 ' H ' HG23 ' A' ' 41' ' ' VAL . 69.6 mt -116.54 141.19 27.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 144.04 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -54.72 -37.09 65.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.03 -12.38 54.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -111.15 -17.37 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.511 ' OE1' HD11 ' A' ' 37' ' ' ILE . 41.8 mt-30 -81.75 165.05 21.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' HG2' HG23 ' A' ' 56' ' ' VAL . 49.8 ttt180 -166.23 87.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.827 ' CB ' HD12 ' A' ' 57' ' ' LEU . 21.8 mt -67.07 136.41 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' NE ' ' A' ' 49' ' ' ARG . 36.5 mt -137.54 127.83 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 40.4 t80 -134.66 122.96 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 86.33 -37.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.35 -18.25 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 134.4 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.7 p -65.26 142.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 50' ' ' LEU . 10.5 mt -81.58 131.28 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 142.71 49.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -47.15 68.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -16.93 63.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.04 169.17 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -120.44 158.05 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.51 -58.54 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' ASN . 37.6 tt0 -41.32 -52.57 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -58.72 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 57' ' ' LEU . 60.5 m-85 -65.22 -28.41 69.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER 79.88 46.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 32.6 m -91.68 20.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.82 116.43 9.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.27 10.15 46.28 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -93.03 169.68 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -107.0 121.71 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.6 mt -99.36 172.01 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' H ' HG22 ' A' ' 73' ' ' ILE . 84.4 m-70 -124.62 93.47 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -87.04 140.3 29.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.612 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -129.01 143.33 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.1 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.7 tt -99.88 133.05 44.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 23' ' ' ILE . 33.5 tt0 -87.53 139.21 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.592 HG13 HD11 ' A' ' 73' ' ' ILE . 47.2 t -140.69 126.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -104.65 152.22 22.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 67.8 t -137.33 131.71 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -111.4 146.37 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.0 p -114.01 -169.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.38 -22.78 43.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -89.14 8.97 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t 55.92 65.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -129.11 85.85 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.248 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -70.07 130.31 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 33.3 mtt180 -128.19 123.62 34.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 132.34 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -129.36 142.37 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 11.0 mm -115.57 104.31 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.593 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.77 163.42 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.33 122.21 9.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.89 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 44.3 mm-40 -55.37 -44.11 75.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.3 ttm -37.23 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.2 p-10 -98.05 169.54 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' HD11 ' A' ' 63' ' ' LEU . 16.8 t -55.87 -49.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 3.2 ttmt -51.31 -67.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 37.4 mt-10 -38.92 -54.78 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' HG21 ' A' ' 24' ' ' VAL . 29.5 t80 -49.36 -47.61 47.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 17.9 mttt -53.25 -45.17 68.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.76 -33.91 76.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -65.58 -56.88 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.8 pt -69.68 -32.8 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -30.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -72.26 -58.3 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.3 m -62.08 -54.93 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 37' ' ' ILE . 27.7 m -63.62 -30.93 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 32.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.596 ' H ' HG23 ' A' ' 41' ' ' VAL . 23.0 mt -129.51 139.89 37.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 144.23 29.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 p -54.68 -38.95 67.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.59 -15.37 51.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -107.16 -27.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.58 162.88 27.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 56' ' ' VAL . 4.9 ttm180 -169.15 76.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.763 ' CB ' HD12 ' A' ' 57' ' ' LEU . 44.8 mt -50.14 139.09 14.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -132.27 131.16 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -135.59 122.89 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 63.45 29.52 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.42 67.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -131.24 127.8 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 56' ' ' VAL . 4.1 p -71.75 113.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.763 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.4 mt -63.24 140.88 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.22 137.49 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -47.66 83.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -34.84 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 169.71 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -122.08 157.04 32.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.84 -59.3 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -42.98 -42.84 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -45.53 70.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.613 ' CE1' HD23 ' A' ' 57' ' ' LEU . 48.4 m-85 -77.89 -9.95 59.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 61.5 47.31 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 66' ' ' TYR . 13.1 m -94.85 26.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.5 104.86 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.71 -11.73 58.59 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -72.13 165.94 23.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.39 110.64 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 10' ' ' VAL . 7.9 mt -87.8 166.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 73' ' ' ILE . 95.0 m-70 -119.55 99.26 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' ' 76' ' ' VAL . 9.2 tp -82.47 155.04 24.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.5 m -141.19 142.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HB2' HD13 ' A' ' 43' ' ' ILE . 9.1 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.0 tt -98.15 134.83 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' HD13 ' A' ' 23' ' ' ILE . 57.4 tt0 -87.03 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.614 HG13 HD11 ' A' ' 73' ' ' ILE . 45.9 t -140.44 130.71 28.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.7 mp -106.18 163.82 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.5 t -150.76 116.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -110.79 110.68 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -75.73 -171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.4 mp -87.87 61.11 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.6 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -145.46 89.96 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -86.05 144.44 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -135.57 117.19 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -78.34 134.34 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -133.25 140.64 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' GLU . 9.6 mm -113.75 104.16 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -127.06 163.42 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.27 121.47 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -50.27 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 mm-40 -45.47 -43.58 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.9 ttm -36.93 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -103.26 163.92 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG12 ' HD2' ' A' ' 34' ' ' LYS . 37.8 t -51.11 -54.03 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -47.91 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 27.9 mt-10 -45.39 -57.65 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.61 ' CD1' HG21 ' A' ' 24' ' ' VAL . 65.0 t80 -46.12 -39.02 8.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HD2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -65.13 -46.77 79.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 27.2 mt-10 -59.83 -34.04 72.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.55 -62.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.86 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.3 pt -61.89 -28.31 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.52 -37.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -63.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -57.96 -62.12 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG23 ' H ' ' A' ' 43' ' ' ILE . 27.8 m -54.96 -30.55 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 68.37 19.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.9 ' H ' HG23 ' A' ' 41' ' ' VAL . 97.7 mt -114.69 142.45 28.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 142.99 28.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.808 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -56.71 -19.81 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -75.88 -30.15 58.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -94.78 -15.71 23.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 37' ' ' ILE . 43.4 mt-30 -79.83 168.8 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 2.0 ttm105 -178.81 76.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 57' ' ' LEU . 29.3 mt -55.17 138.47 44.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.681 HG12 HG22 ' A' ' 56' ' ' VAL . 41.8 mt -138.44 126.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 53' ' ' GLN . 89.5 t80 -111.26 122.25 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 67.4 mt-30 68.09 -66.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.29 32.59 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -137.08 136.25 38.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 51' ' ' ILE . 42.8 t -80.5 111.78 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 66' ' ' TYR . 3.8 mt -58.82 125.89 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 144.66 51.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -55.67 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -29.41 57.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.34 163.28 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -118.3 156.24 29.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.95 -58.84 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -43.98 -41.56 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -49.6 60.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.8 m-85 -77.36 -11.96 59.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.06 51.79 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 21.7 m -97.0 25.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.64 104.61 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.4 45.61 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -68.27 166.43 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -106.99 114.09 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 HG13 ' A' ' 10' ' ' VAL . 5.6 mt -90.86 170.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.51 ' H ' HG22 ' A' ' 73' ' ' ILE . 78.9 m-70 -123.4 96.1 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.9 tp -81.71 153.41 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 36.0 m -138.56 143.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD23 HG23 ' A' ' 10' ' ' VAL . 2.7 tt -90.46 133.58 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 53.4 tt0 -88.13 146.56 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 73' ' ' ILE . 48.8 t -149.14 129.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -106.64 164.96 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 75' ' ' LEU . 42.5 t -150.26 127.59 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.81 152.58 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.0 p -124.71 -167.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -21.89 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.53 6.23 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 t 58.04 42.21 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.71 98.0 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -86.43 128.79 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -126.25 129.95 49.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.489 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.2 m -83.69 140.58 32.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 10' ' ' VAL . 62.8 m-85 -134.28 137.07 43.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.83 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -127.8 163.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.16 123.16 9.28 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.43 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 28' ' ' MET . 6.2 mt-30 -55.1 -43.69 74.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.3 ttm -37.24 154.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -108.13 161.05 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 50' ' ' LEU . 46.3 t -50.86 -56.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -43.91 -54.65 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' HG21 ' A' ' 24' ' ' VAL . 72.4 t80 -46.18 -36.43 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 30' ' ' VAL . 9.6 mttm -64.11 -47.25 80.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.7 mt-10 -61.56 -38.18 86.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.51 -51.24 70.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.823 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.1 pt -73.4 -31.3 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -40.74 -31.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.38 -54.55 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.1 m -66.41 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -54.7 -31.04 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.16 20.61 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.764 ' H ' HG23 ' A' ' 41' ' ' VAL . 85.6 mt -116.93 141.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.97 144.14 30.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -52.7 -41.75 64.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.39 -14.04 24.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 -16.75 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' OE1' HD11 ' A' ' 37' ' ' ILE . 72.3 mt-30 -76.98 165.79 24.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB3' HG23 ' A' ' 76' ' ' VAL . 63.6 ttt180 -168.59 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.72 HD12 HG13 ' A' ' 30' ' ' VAL . 60.3 mt -57.11 133.41 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 26.2 mt -136.33 126.21 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 68' ' ' VAL . 32.4 t80 -115.24 121.86 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.3 -65.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.23 33.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.6 mtt180 -139.45 142.18 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 123.66 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.773 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.6 mt -76.08 113.44 13.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.43 157.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 -21.89 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.59 167.79 21.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -113.7 155.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.75 -58.33 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.42 -54.93 14.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.773 ' CE1' HD23 ' A' ' 57' ' ' LEU . 69.4 m-85 -68.5 -14.51 63.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.08 49.43 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 52' ' ' TYR . 34.5 m -92.66 25.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.51 114.16 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.76 6.77 52.75 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -89.28 167.72 12.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.02 118.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.3 mt -95.56 172.4 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.4 m-70 -125.62 91.56 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.554 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -84.44 147.72 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.428 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.9 m -137.25 143.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -97.44 139.76 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.491 ' CG ' HG23 ' A' ' 21' ' ' THR . 18.2 tt0 -93.98 144.61 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.583 HG13 HD11 ' A' ' 73' ' ' ILE . 58.2 t -145.75 129.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -107.0 165.52 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.4 t -150.13 116.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -104.0 112.5 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.0 p -81.06 172.67 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.96 57.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.17 35.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.31 74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -150.73 88.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -85.56 138.12 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -132.89 117.95 18.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -77.12 137.82 39.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.3 m-85 -133.61 143.69 48.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mm -116.32 104.21 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -128.02 163.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.44 122.62 15.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.14 -37.51 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' MET . 34.9 mt-30 -59.92 -42.33 93.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.1 ttm -37.02 145.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.5 p-10 -96.65 165.86 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.602 ' HA ' HD11 ' A' ' 63' ' ' LEU . 17.4 t -53.66 -48.35 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -51.66 -67.58 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -39.74 -55.8 1.85 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 50' ' ' LEU . 52.0 t80 -46.62 -48.27 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 32.3 mttt -52.89 -45.4 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.45 -32.2 73.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 81.2 t60 -67.79 -57.4 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 41' ' ' VAL . 28.6 pt -68.95 -33.25 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -41.02 -30.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.74 -55.14 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -66.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.4 m -54.03 -28.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 26.79 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.729 ' H ' HG23 ' A' ' 41' ' ' VAL . 33.3 mt -124.29 141.04 36.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.1 143.61 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 p -52.91 -44.02 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.21 -15.59 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -106.37 -23.17 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 55.5 mt-30 -80.03 159.42 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 56' ' ' VAL . 33.3 ttt180 -157.88 85.28 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.764 ' CB ' HD12 ' A' ' 57' ' ' LEU . 53.3 mt -63.5 124.89 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.22 126.4 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -114.71 121.37 43.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 69.27 -63.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.04 34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.98 131.82 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 56' ' ' VAL . 11.4 p -75.49 108.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.0 mt -55.91 124.42 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.49 142.95 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -63.31 -55.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -51.35 -39.91 58.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -58.85 166.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -120.17 157.13 29.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.759 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.68 -59.13 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASN . 42.5 tt0 -42.88 -54.27 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.01 -50.18 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' HD23 ' A' ' 57' ' ' LEU . 45.3 m-85 -71.85 -32.42 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.1 t30 81.53 47.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.54 17.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.12 114.48 6.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.17 6.26 52.45 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -88.93 167.1 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -107.86 113.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 10' ' ' VAL . 6.0 mt -91.99 171.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.0 m-70 -124.6 96.88 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HB3' HG13 ' A' ' 12' ' ' VAL . 7.3 tp -89.72 145.31 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 33.7 m -132.27 148.67 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 10' ' ' VAL . 2.1 tt -92.36 135.18 34.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' CG ' HG23 ' A' ' 21' ' ' THR . 33.2 tt0 -90.1 144.58 25.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.571 HG13 HD11 ' A' ' 73' ' ' ILE . 51.2 t -145.65 128.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.2 mp -104.05 169.15 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.622 HG13 ' HB3' ' A' ' 75' ' ' LEU . 38.0 t -155.85 116.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -109.45 106.53 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.8 p -70.43 -173.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.72 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.33 28.16 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t 45.47 69.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.17 81.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 11' ' ' LEU . 84.8 m -76.28 133.62 40.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -132.4 117.37 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.59 135.15 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.6 m-85 -132.25 140.55 48.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mm -114.13 104.37 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 33' ' ' PHE . 27.1 m -126.56 163.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.3 121.69 13.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.01 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' MET . 54.5 mt-30 -52.88 -42.64 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.4 ttm -36.87 153.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 1.8 p-10 -106.96 160.25 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.55 ' HA ' HD11 ' A' ' 63' ' ' LEU . 51.1 t -48.4 -52.95 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -49.28 -61.15 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -48.29 -53.04 18.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HD1' HG21 ' A' ' 24' ' ' VAL . 76.8 t80 -51.13 -44.56 61.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 30' ' ' VAL . 8.0 mttp -54.82 -54.5 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 20.1 mt-10 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -58.97 -57.12 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.2 pt -67.81 -31.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -42.0 -29.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.59 -51.75 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.9 m -70.95 -63.45 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.787 HG23 ' H ' ' A' ' 43' ' ' ILE . 28.1 m -53.25 -32.09 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.68 20.03 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.787 ' H ' HG23 ' A' ' 41' ' ' VAL . 14.9 mt -117.32 139.96 26.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.92 144.87 31.08 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -50.91 -50.42 57.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.4 -20.65 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -98.61 -27.7 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' HG21 ' A' ' 41' ' ' VAL . 39.3 mt-30 -80.93 162.76 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.3 ttm180 -165.28 78.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.615 ' CB ' HD12 ' A' ' 57' ' ' LEU . 72.3 mt -51.37 134.49 28.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.43 HD11 ' HD3' ' A' ' 49' ' ' ARG . 34.2 mt -137.86 126.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' GLY . 61.2 t80 -109.96 122.57 47.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' TYR . 46.3 mm-40 66.33 -68.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.2 32.18 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -134.02 133.56 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 56' ' ' VAL . 4.7 p -75.75 116.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD22 ' CD2' ' A' ' 66' ' ' TYR . 4.6 mt -67.46 121.9 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -59.99 125.77 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -24.52 43.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -32.89 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.1 mmtp -63.12 166.66 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -114.47 155.0 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.784 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -60.04 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -42.71 -41.54 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -53.84 38.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD2' HD22 ' A' ' 57' ' ' LEU . 58.9 m-85 -72.7 -7.06 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.52 49.08 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 33.4 m -91.96 20.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.1 113.04 5.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.46 55.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -86.16 169.27 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -109.57 115.7 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.59 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.9 mt -95.12 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.59 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.1 m-70 -125.99 92.45 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -81.3 147.81 29.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -128.36 144.94 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.9 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -87.3 135.74 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 31.9 tt0 -92.65 145.69 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 73' ' ' ILE . 56.8 t -145.58 131.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HG23 ' A' ' 12' ' ' VAL . 7.1 mp -107.22 169.42 8.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 70.3 t -155.63 118.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -105.75 134.95 48.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -101.75 -177.4 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.39 45.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.29 32.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 m 43.18 78.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -156.2 84.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -90.16 138.76 31.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 10.6 mtt-85 -130.13 169.83 14.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -122.89 136.5 54.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' ILE . 65.6 m-85 -132.11 137.81 47.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.1 mm -112.52 104.3 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -126.66 163.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.61 122.44 9.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 64' ' ' GLN . . . -41.65 -43.9 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 30.9 mt-30 -52.7 -44.59 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.22 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.1 p-10 -100.63 168.49 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' HD11 ' A' ' 63' ' ' LEU . 13.4 t -56.1 -56.32 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 -61.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLU . 24.7 mt-10 -47.08 -59.67 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.4 t80 -43.86 -44.06 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.764 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.9 mttm -58.52 -41.78 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' GLU . 39.2 mt-10 -67.95 -32.38 72.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.72 -57.62 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.5 pt -70.3 -29.54 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.3 -31.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.98 -56.23 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 m -63.15 -60.36 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 37' ' ' ILE . 26.8 m -59.36 -24.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t 65.09 25.41 12.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 44' ' ' PRO . 91.8 mt -118.7 142.34 31.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.91 143.22 29.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -58.57 -18.33 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.48 -31.3 47.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -93.65 -16.47 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.3 mt-30 -76.97 160.7 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.499 ' CG ' HG23 ' A' ' 56' ' ' VAL . 77.6 ttt180 -163.84 75.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 75' ' ' LEU . 44.2 mt -61.3 126.67 28.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.54 126.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 54' ' ' GLY . 90.3 t80 -111.67 126.8 55.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 66.71 -67.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.47 32.41 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -139.3 134.1 32.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.8 p -73.23 106.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 66' ' ' TYR . 7.1 mt -49.82 116.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 HE22 HG13 ' A' ' 56' ' ' VAL . 4.7 mp0 -63.83 142.72 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -57.31 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -34.74 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -61.01 163.68 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -118.59 155.86 30.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.59 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 7.8 tt0 -43.81 -47.95 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -53.57 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.747 ' CD2' HD22 ' A' ' 57' ' ' LEU . 40.1 m-85 -68.61 -26.86 65.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 1.8 t30 80.22 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.7 m -93.02 27.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.76 110.34 3.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.64 5.11 55.47 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -84.86 172.06 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.66 116.35 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 5.0 mt -94.84 173.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 65.1 m-70 -126.63 95.66 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB2' HD23 ' A' ' 50' ' ' LEU . 9.3 tp -86.67 150.65 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.98 143.11 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.6 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 10' ' ' VAL . 3.5 tt -91.41 131.39 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' CG ' HG23 ' A' ' 21' ' ' THR . 48.8 tt0 -88.76 149.02 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' HD11 ' A' ' 73' ' ' ILE . 42.7 t -148.76 126.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 11' ' ' LEU . 5.6 mp -102.24 156.42 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 75' ' ' LEU . 20.0 t -139.64 116.89 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -109.07 114.64 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -81.46 -165.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.8 48.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.92 30.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t 43.38 65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.94 87.27 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -85.18 134.62 34.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -131.89 119.74 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -78.23 134.1 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 52.4 m-85 -131.4 139.42 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -112.2 104.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -126.18 163.33 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -69.89 123.0 12.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.28 -36.23 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.2 mm-40 -61.53 -42.33 98.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -37.65 147.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -97.61 168.12 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 63' ' ' LEU . 12.6 t -55.82 -50.05 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 11.6 tttt -50.67 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 49.6 mt-10 -40.84 -56.9 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 50' ' ' LEU . 66.2 t80 -46.44 -48.7 18.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.7 mttt -52.93 -45.72 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.6 -32.22 73.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.82 -56.82 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.633 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.6 pt -70.05 -26.45 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -47.4 -28.68 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.05 -46.4 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -70.12 -60.12 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.801 HG21 ' OE1' ' A' ' 48' ' ' GLN . 31.7 m -60.33 -19.81 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.98 26.96 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 44' ' ' PRO . 76.0 mt -127.16 141.73 41.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 143.57 29.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 t -48.45 -50.29 31.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.3 -20.06 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -98.0 -27.33 14.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.801 ' OE1' HG21 ' A' ' 41' ' ' VAL . 43.3 mt-30 -84.09 159.32 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 56' ' ' VAL . 12.0 ttt180 -159.16 81.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.819 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -54.34 130.32 38.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.93 127.28 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 57' ' ' LEU . 51.6 t80 -137.37 130.23 30.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 66.12 10.61 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.24 43.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -128.61 124.81 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' CG ' ' A' ' 49' ' ' ARG . 7.2 p -61.52 106.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.5 mt -52.99 129.13 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.13 143.07 50.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -54.84 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.36 -36.2 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.49 168.08 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -121.2 157.91 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.776 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.24 -58.63 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 12.4 tt0 -43.06 -51.79 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.71 -48.29 4.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.7 ' CE1' HD23 ' A' ' 57' ' ' LEU . 51.9 m-85 -75.19 -28.37 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.5 t-20 79.37 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.62 15.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.97 114.36 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.49 55.22 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -90.96 166.3 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.24 113.49 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 74' ' ' HIS . 5.7 mt -91.2 172.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 73' ' ' ILE . 74.7 m-70 -124.2 95.37 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -85.84 140.55 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -126.45 142.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG3' HG21 ' A' ' 43' ' ' ILE . 9.5 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -91.56 132.63 36.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 21' ' ' THR . 51.2 tt0 -92.73 148.24 22.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.0 t -147.87 128.36 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.1 mp -101.26 169.29 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 11' ' ' LEU . 77.3 t -152.78 117.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -106.96 105.9 16.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.6 p -73.47 -165.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.31 55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -173.82 35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p 40.25 73.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -144.64 84.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -83.11 125.77 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -123.0 120.87 34.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -79.13 138.02 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.442 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' VAL . 62.1 m-85 -133.75 136.15 44.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.35 104.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -127.97 163.39 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 134.96 45.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -15.91 40.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.69 -25.73 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.516 ' O ' HD22 ' A' ' 63' ' ' LEU . 51.2 ttm -52.01 141.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.8 p-10 -89.18 169.07 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.834 HG13 HD12 ' A' ' 50' ' ' LEU . 26.4 t -56.09 -52.52 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLU . 4.3 ttpt -47.57 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 19.7 mt-10 -38.43 -58.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 24' ' ' VAL . 38.9 t80 -45.88 -42.96 13.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.7 mttt -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.23 -32.47 70.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -67.01 -57.56 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.815 ' O ' HG22 ' A' ' 41' ' ' VAL . 26.2 pt -68.49 -32.51 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -31.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -66.13 -57.8 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -62.79 -63.28 1.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.9 m -54.67 -32.15 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.65 23.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.4 mt -113.79 141.6 26.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 148.09 35.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -65.86 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.41 -12.4 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 10.9 mtpp -113.93 -3.45 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 75' ' ' LEU . 41.6 mt-30 -89.18 162.19 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.618 ' HE ' HG21 ' A' ' 56' ' ' VAL . 27.8 ttt180 -162.33 84.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 30' ' ' VAL . 59.7 mt -64.83 130.29 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 49' ' ' ARG . 24.9 mt -136.08 126.53 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' GLY . 58.9 t80 -113.86 121.65 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 68.57 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -175.56 33.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.76 133.77 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.618 HG21 ' HE ' ' A' ' 49' ' ' ARG . 9.9 p -75.97 111.71 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.793 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -61.45 121.66 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -64.54 138.0 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -38.73 90.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -39.72 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -62.31 161.06 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 29' ' ' ASN . 2.7 mttm -110.44 160.69 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.2 -57.51 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASN . 36.3 tt0 -43.95 -52.23 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -49.58 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.2 m-85 -74.02 -29.49 61.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.2 t-20 81.72 42.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.2 m -88.97 14.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.95 114.26 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.09 5.39 53.13 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -88.8 170.68 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.67 112.24 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 10' ' ' VAL . 10.1 mt -91.87 170.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.526 ' H ' HG22 ' A' ' 73' ' ' ILE . 73.4 m-70 -124.57 99.84 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -94.43 142.84 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 ' H ' HD12 ' A' ' 75' ' ' LEU . 35.0 m -131.84 145.83 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 HG23 ' A' ' 10' ' ' VAL . 2.8 tt -91.65 133.47 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.1 tt0 -88.44 145.57 25.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.6 t -148.1 128.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.522 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -104.25 169.19 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 69.1 t -155.41 127.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.07 133.18 56.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.4 p -121.96 -174.85 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.28 -47.12 66.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -46.76 -37.24 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 2.9 t 79.12 48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -130.8 82.06 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.522 ' CG2' HD23 ' A' ' 11' ' ' LEU . 67.9 m -48.66 135.31 14.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -127.8 117.37 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.56 136.35 37.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' VAL . 60.2 m-85 -132.97 136.66 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -110.67 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.3 m -126.22 163.28 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.72 122.49 17.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.65 -38.07 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -59.26 -43.01 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.9 ttm -38.89 149.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -105.17 153.34 21.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.955 HG13 HD12 ' A' ' 50' ' ' LEU . 70.3 t -43.28 -47.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -47.35 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLU . 34.8 mt-10 -51.81 -54.26 30.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 58.9 t80 -44.29 -34.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.781 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 6.4 mttm -70.34 -41.71 72.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.4 mt-10 -67.94 -30.19 69.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -68.82 -60.51 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.7 pt -68.59 -27.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.781 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.94 -30.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -73.23 -54.91 7.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -62.33 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.8 m -54.73 -31.11 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.94 26.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.765 ' H ' HG23 ' A' ' 41' ' ' VAL . 89.2 mt -123.53 141.8 37.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.88 29.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -50.2 -47.01 54.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.21 -18.75 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -98.39 -27.66 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' HG2' HD11 ' A' ' 75' ' ' LEU . 61.3 mt-30 -67.69 162.33 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.597 ' CD ' HD11 ' A' ' 51' ' ' ILE . 46.6 ttt180 -166.66 73.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.955 HD12 HG13 ' A' ' 30' ' ' VAL . 62.0 mt -56.73 127.63 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.597 HD11 ' CD ' ' A' ' 49' ' ' ARG . 20.6 mt -135.2 126.35 45.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.662 ' CD2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.21 121.26 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.3 -65.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.52 34.06 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 3.1 mtt-85 -137.65 138.09 39.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.1 p -80.34 111.23 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mt -63.21 121.9 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -63.65 140.8 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.8 -31.37 71.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.8 -38.34 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.7 mmtt -59.06 169.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -117.3 154.71 30.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.4 -60.16 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -44.94 -45.35 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.59 -56.24 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 55.1 m-85 -67.63 -23.03 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.8 t-20 78.22 44.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG12 ' CD2' ' A' ' 52' ' ' TYR . 31.2 m -93.38 25.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.85 112.11 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.36 8.65 59.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.61 169.17 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.16 119.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.7 mt -96.81 175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.655 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.0 m-70 -127.25 89.9 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 13.5 tp -82.12 152.23 26.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.6 m -150.56 156.22 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 10' ' ' VAL . 1.9 tt -96.07 135.33 38.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' CG ' HG23 ' A' ' 21' ' ' THR . 34.8 tt0 -91.78 144.39 25.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.551 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 58.4 t -144.54 127.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -107.02 157.01 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 75' ' ' LEU . 22.9 t -141.21 131.44 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -116.18 117.92 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' ASP . 55.9 p -93.16 162.31 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.27 61.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' THR . 33.2 m-20 -163.95 32.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.6 m 39.6 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -166.2 117.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -107.51 138.2 44.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 73.1 mtt180 -125.04 168.82 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.457 HG23 ' CG ' ' A' ' 9' ' ' GLU . 2.7 m -128.55 131.26 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.79 139.97 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -112.89 104.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.82 163.33 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.53 123.27 9.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.19 -41.16 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 46.3 mt-30 -55.45 -42.42 74.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.0 ttm -36.95 145.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.0 p-10 -99.0 156.74 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 63' ' ' LEU . 73.2 t -45.42 -53.85 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.64 -62.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 50' ' ' LEU . 51.7 t80 -44.82 -44.25 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 25.1 mttt -58.05 -44.66 87.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.38 -32.1 71.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.01 -57.1 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.805 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.8 pt -68.95 -33.96 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.6 -31.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.41 -58.3 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -63.67 -63.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -52.72 -30.82 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.53 24.07 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.776 ' H ' HG23 ' A' ' 41' ' ' VAL . 53.0 mt -121.38 141.53 33.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 143.56 29.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLN . 55.9 p -50.97 -55.43 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -48.74 -23.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -96.36 -28.47 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 55.7 mt-30 -74.36 162.42 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.5 ttt180 -166.08 82.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 31.5 mt -59.47 138.32 57.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.3 mt -137.77 128.37 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 48.0 t80 -130.48 121.5 25.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 1.9 tm0? 84.78 -39.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.24 -21.39 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 152.59 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.9 p -83.53 146.05 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 13.1 mt -86.33 130.02 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.65 121.95 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -40.22 63.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.84 -33.62 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -66.16 170.95 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.93 156.47 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.762 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.85 -59.4 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -41.08 -50.08 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.79 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HD23 ' A' ' 57' ' ' LEU . 65.9 m-85 -68.23 -29.82 68.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.3 t-20 81.69 46.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.58 33.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.11 113.32 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 4.53 56.11 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.07 167.62 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.86 112.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 10' ' ' VAL . 8.1 mt -93.64 168.62 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' HG22 ' A' ' 73' ' ' ILE . 80.8 m-70 -120.93 99.38 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 HD23 ' A' ' 50' ' ' LEU . 26.2 tp -88.1 148.76 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 28.7 m -130.81 148.77 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HB2' HD13 ' A' ' 43' ' ' ILE . 5.4 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.3 tt -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 27.5 tt0 -90.61 143.76 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' A' ' 8' ' ' LEU . 44.3 t -144.76 131.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.8 mp -106.62 169.17 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.0 t -157.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -110.16 115.55 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -82.16 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -72.83 59.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -173.28 34.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.3 p 39.19 68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -144.42 100.14 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.424 ' CG2' HD23 ' A' ' 11' ' ' LEU . 21.5 m -94.62 140.86 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -137.44 119.91 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.55 137.82 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 10' ' ' VAL . 57.8 m-85 -133.33 138.43 46.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mm -112.28 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -126.38 163.35 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.98 122.94 9.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.59 -43.37 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.794 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' MET . 41.1 mt-30 -52.58 -45.13 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.7 ttm -37.8 149.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.2 p-10 -101.1 168.33 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.63 HG12 ' HE3' ' A' ' 34' ' ' LYS . 17.8 t -56.28 -59.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -43.25 -57.29 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLU . 8.5 mt-10 -51.01 -59.22 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 24' ' ' VAL . 45.6 t80 -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.2 mttt -60.28 -43.26 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.3 mt-10 -66.48 -31.39 72.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -71.01 -58.06 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.635 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.59 HD11 ' OE1' ' A' ' 48' ' ' GLN . 8.0 pt -67.99 -27.88 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.4 -29.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.06 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 m -56.84 -58.79 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.875 HG23 ' H ' ' A' ' 43' ' ' ILE . 31.7 m -62.0 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 71.12 16.04 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 41' ' ' VAL . 92.2 mt -112.63 140.39 23.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 148.09 34.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.8 p -55.82 -25.18 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.51 -14.52 62.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HE2' ' CD ' ' A' ' 44' ' ' PRO . 41.5 mtmt -110.35 -25.93 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.59 ' OE1' HD11 ' A' ' 37' ' ' ILE . 44.8 mt-30 -70.82 156.8 39.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.608 ' HD3' HD11 ' A' ' 51' ' ' ILE . 43.1 ttt180 -161.88 74.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HB3' HD12 ' A' ' 57' ' ' LEU . 50.9 mt -52.71 131.33 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.608 HD11 ' HD3' ' A' ' 49' ' ' ARG . 25.8 mt -136.79 126.46 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -117.55 121.56 41.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.34 -64.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.55 34.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.65 144.98 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.0 p -84.22 108.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.3 mt -57.68 117.2 3.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.7 163.65 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -59.13 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -27.69 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.51 165.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -120.98 155.04 35.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.73 -59.59 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ASN . 13.4 tt0 -42.12 -51.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.19 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.631 ' CE1' HD23 ' A' ' 57' ' ' LEU . 47.2 m-85 -66.6 -26.27 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER 77.26 42.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.668 HG12 ' CE2' ' A' ' 52' ' ' TYR . 31.6 m -88.96 14.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.69 116.03 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.15 9.56 48.65 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -89.81 176.09 6.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -114.45 117.63 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.0 mt -97.78 174.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.63 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.4 m-70 -128.36 92.83 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 76' ' ' VAL . 3.0 tp -83.04 152.97 25.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.1 m -142.57 142.91 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' HB2' HD13 ' A' ' 43' ' ' ILE . 4.3 tt0 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 2.5 tt -97.98 133.79 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 37.9 tt0 -90.42 144.6 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 46.8 t -145.73 128.1 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.5 mp -103.07 169.2 8.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' LEU . 55.7 t -157.27 114.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -104.44 117.44 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -81.94 176.74 9.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.786 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.8 56.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.43 35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t 39.62 72.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -145.72 79.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 72.5 m -78.83 138.93 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -134.09 119.58 19.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.8 135.21 37.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . 53.4 m-85 -131.86 140.56 49.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -114.78 104.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.2 m -125.65 163.42 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.22 122.95 10.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.81 -39.03 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' MET . 9.7 mt-30 -56.46 -44.27 80.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.7 ttm -37.54 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.1 p-10 -104.46 175.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.541 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.0 t -62.7 -56.07 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -58.29 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.0 mt-10 -48.66 -57.29 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 44.5 t80 -44.82 -39.21 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.2 mttp -65.76 -38.9 90.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.7 mt-10 -68.31 -33.34 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -68.78 -58.18 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.567 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.5 pt -68.38 -28.72 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.32 -31.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -65.22 -58.97 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.789 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.6 m -55.06 -30.59 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m 71.71 20.69 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.789 ' H ' HG23 ' A' ' 41' ' ' VAL . 41.5 mt -117.34 141.02 28.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.96 29.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 p -51.42 -48.63 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.95 -18.85 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -102.23 -23.91 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 34' ' ' LYS . 41.4 mt-30 -78.08 158.3 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.8 ttt180 -159.73 79.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CB ' HD12 ' A' ' 57' ' ' LEU . 34.4 mt -59.75 141.97 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -139.46 128.28 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 53' ' ' GLN . 59.1 t80 -128.89 120.83 26.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 2.7 mm100 83.5 -37.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.28 -19.75 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 139.66 31.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.8 p -66.8 152.45 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 50' ' ' LEU . 16.8 mt -95.32 117.45 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -63.33 134.19 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -59.91 4.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.52 -41.88 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 167.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -120.37 153.25 36.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.29 -60.66 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASN . 11.6 tt0 -41.91 -52.65 4.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -49.85 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE1' HD23 ' A' ' 57' ' ' LEU . 43.2 m-85 -70.35 -29.34 65.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER 81.55 40.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.65 15.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 115.22 7.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.21 6.13 51.96 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -87.63 167.37 13.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.57 110.67 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.4 mt -89.88 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.539 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.5 m-70 -121.53 95.42 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 76' ' ' VAL . 19.2 tp -82.51 150.5 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.619 ' H ' HD12 ' A' ' 75' ' ' LEU . 18.8 m -142.22 147.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 tt -96.51 131.26 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.499 ' CG ' HG23 ' A' ' 21' ' ' THR . 54.0 tt0 -93.75 148.2 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.566 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.5 t -146.46 130.4 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 11' ' ' LEU . 5.6 mp -104.31 169.26 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.64 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.3 t -154.9 118.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.88 144.43 32.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -127.09 -175.45 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.7 mm? -56.14 -50.48 71.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -29.12 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.15 60.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -120.19 60.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.9 m -38.83 124.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -124.49 121.07 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.499 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -80.72 136.68 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 59.3 m-85 -131.4 138.56 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -109.93 105.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -130.5 163.45 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.74 124.68 18.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . . . -49.07 -25.44 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.43 -36.2 63.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.6 ttm -38.91 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.6 p-10 -101.63 158.07 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.5 t -45.7 -53.72 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' CB ' ' HG3' ' A' ' 28' ' ' MET . 33.0 mt-10 -45.79 -55.42 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 54.7 t80 -49.22 -42.18 39.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 23.8 mttt -61.05 -46.07 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.16 -32.54 73.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 83.7 t60 -66.58 -58.0 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.791 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -69.5 -30.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.65 -35.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -58.29 -62.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' ILE . 30.5 m -58.82 -21.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER 62.95 25.83 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.706 HG23 ' HD2' ' A' ' 44' ' ' PRO . 85.7 mt -120.43 142.42 33.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 143.73 29.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 10.5 p -53.12 -45.67 68.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.03 -17.29 16.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 15.6 mtpt -102.77 -20.53 14.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.779 ' OE1' HD11 ' A' ' 37' ' ' ILE . 68.6 mt-30 -79.41 155.84 28.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 56' ' ' VAL . 37.0 ttt180 -155.58 84.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.65 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -67.43 135.33 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.8 mt -137.13 128.59 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 52.1 t80 -126.21 122.05 34.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 2.0 tm0? 81.38 -43.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.58 -26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 150.84 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.8 p -82.59 156.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' CB ' ' A' ' 50' ' ' LEU . 19.3 mt -98.73 124.51 43.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.95 122.84 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -52.5 -22.19 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -82.68 -34.88 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -65.86 171.11 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.17 156.34 25.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.35 -59.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -44.05 -45.12 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -27.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.5 m-85 -101.38 -23.82 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 16.8 t30 76.36 49.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 17.0 m -92.83 31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.66 117.84 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.84 8.19 46.82 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -90.05 167.47 12.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.6 109.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.4 mt -88.36 170.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 83.8 m-70 -121.06 96.69 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 12' ' ' VAL . 5.3 tp -90.42 153.22 20.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.32 144.36 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.235 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.2 tt -98.74 134.44 41.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 65.6 tt0 -86.38 145.55 26.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG13 HD11 ' A' ' 73' ' ' ILE . 49.7 t -148.43 130.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -106.51 169.28 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 75' ' ' LEU . 59.8 t -156.05 117.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 109.88 20.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -77.14 -175.46 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.733 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -83.24 55.7 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.6 t0 -168.66 34.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 50.3 m 39.17 66.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -138.14 97.43 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.523 ' CG2' HD23 ' A' ' 11' ' ' LEU . 90.5 m -91.23 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -134.41 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.24 141.94 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 69.2 m-85 -137.72 136.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.1 mm -112.16 104.26 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 35.6 m -127.19 163.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.46 121.36 15.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.1 -45.67 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' MET . 37.2 mm-40 -50.71 -44.51 58.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 48.9 ttm -36.18 149.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.0 p-10 -99.77 168.8 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 63' ' ' LEU . 15.9 t -55.69 -55.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -46.53 -62.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 28.1 mt-10 -44.54 -59.13 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.0 t80 -44.13 -42.81 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.6 mttt -61.9 -45.93 91.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.4 mt-10 -60.71 -33.66 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.06 -61.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.635 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.9 pt -63.34 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -46.55 -25.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -71.93 -58.01 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -59.15 -62.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' H ' ' A' ' 43' ' ' ILE . 34.0 m -58.14 -30.52 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.6 4.72 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.855 ' H ' HG23 ' A' ' 41' ' ' VAL . 81.6 mt -97.59 142.32 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 143.52 29.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 p -53.18 -46.03 68.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.9 -20.38 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -100.68 -27.49 13.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.0 mt-30 -76.21 161.42 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 21.1 ttm105 -163.27 89.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' CB ' HD12 ' A' ' 57' ' ' LEU . 30.5 mt -62.05 126.86 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 56' ' ' VAL . 19.9 mt -132.12 126.2 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.609 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.01 121.18 40.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.46 -63.49 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.6 34.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.83 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 51' ' ' ILE . 22.8 t -73.17 103.04 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' ' 66' ' ' TYR . 7.8 mt -52.51 121.48 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.421 ' O ' HG11 ' A' ' 30' ' ' VAL . 9.5 mp0 -61.04 167.89 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -53.4 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -24.74 47.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 167.25 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.16 157.27 30.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.67 -57.19 13.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -43.36 -48.8 7.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -51.86 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.843 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.7 m-85 -70.59 -31.56 68.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 5.0 t-20 81.92 45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.609 HG12 ' CE2' ' A' ' 52' ' ' TYR . 19.9 m -92.84 31.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.73 110.03 3.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.34 1.36 60.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.86 173.18 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.23 120.14 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.654 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.3 mt -97.79 175.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.654 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.8 m-70 -130.61 94.67 3.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -86.08 148.08 25.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.9 m -132.02 145.04 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.0 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 10' ' ' VAL . 3.1 tt -88.67 132.29 34.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -91.53 146.36 23.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 73' ' ' ILE . 45.1 t -144.53 130.54 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.6 mp -106.56 155.72 19.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 75' ' ' LEU . 55.7 t -137.76 132.73 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -115.91 134.56 54.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.3 p -113.76 168.44 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.69 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.52 60.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.8 t0 -169.87 33.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 69.8 m 38.58 55.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -128.87 110.77 12.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -109.98 127.95 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 45.3 mtt180 -120.91 171.93 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.509 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -126.82 136.47 52.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.462 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 54.9 m-85 -132.8 139.51 47.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -112.8 104.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -127.02 163.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -70.81 123.47 11.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.08 -36.59 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' MET . 1.6 mt-30 -60.54 -42.72 97.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.1 ttm -37.13 148.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.1 p-10 -97.2 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HA ' HD11 ' A' ' 63' ' ' LEU . 8.7 t -56.78 -49.12 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 12.4 ttpt -51.52 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 59.2 mt-10 -38.68 -53.92 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 24' ' ' VAL . 70.3 t80 -52.46 -44.74 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 24.3 mttt -57.14 -41.89 79.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.46 -37.3 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -63.03 -50.36 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.761 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.1 pt -74.29 -32.82 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -44.24 -27.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.5 -57.01 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -65.75 -63.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 37' ' ' ILE . 33.9 m -53.04 -33.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.15 29.68 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . 24.4 mt -126.61 140.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.9 143.16 29.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -54.97 -40.03 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.52 -12.8 35.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 5.4 mtpp -110.37 -23.34 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 51.0 mt-30 -74.38 172.6 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HE ' HG21 ' A' ' 56' ' ' VAL . 41.3 ttt180 -168.7 77.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 ' CB ' HD12 ' A' ' 57' ' ' LEU . 39.4 mt -58.46 131.96 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 HD11 ' HD3' ' A' ' 49' ' ' ARG . 15.8 mt -134.89 126.44 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.6 t80 -109.32 125.03 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 66.63 -68.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -171.33 31.9 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.95 137.68 34.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.531 HG21 ' HE ' ' A' ' 49' ' ' ARG . 7.6 p -70.86 149.21 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 50' ' ' LEU . 24.6 mt -99.66 124.54 44.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -71.6 131.45 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -55.69 27.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -40.72 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.52 167.68 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -118.23 159.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -61.15 -57.99 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -45.54 -46.25 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.13 -34.35 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CD2' HD22 ' A' ' 57' ' ' LEU . 46.8 m-85 -92.04 -26.72 18.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 77.74 49.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.46 24.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.67 116.54 8.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.5 47.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.35 166.37 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.2 113.38 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.617 HD11 HG13 ' A' ' 10' ' ' VAL . 5.4 mt -90.69 172.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.572 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.6 m-70 -126.21 96.53 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.5 tp -87.73 148.7 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 75' ' ' LEU . 27.5 m -141.81 144.38 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 18.6 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m 55.53 97.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.01 166.08 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.05 141.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.49 77.65 8.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -138.65 108.35 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.46 173.55 28.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 10' ' ' VAL . 1.5 tt -103.77 135.87 44.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.664 ' HG3' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -90.23 139.84 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 HD23 ' A' ' 8' ' ' LEU . 66.3 t -141.41 124.67 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 11' ' ' LEU . 5.5 mp -100.82 156.1 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.17 117.65 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -107.21 106.98 17.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 p -72.5 -171.92 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.58 44.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -161.99 34.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t 42.09 75.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -146.38 85.83 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 m -82.53 129.47 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -129.61 117.31 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.664 HG23 ' HG3' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -75.2 138.56 42.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' VAL . 61.5 m-85 -134.21 139.16 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.1 mm -112.54 104.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.8 m -126.43 163.29 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.54 122.81 18.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.3 -32.82 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.43 -41.53 93.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -38.13 148.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.6 p-10 -97.64 170.39 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' HD11 ' A' ' 63' ' ' LEU . 11.9 t -58.5 -51.33 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -48.58 -67.6 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.459 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 42.8 mt-10 -40.63 -60.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HD2' HD11 ' A' ' 50' ' ' LEU . 63.9 t80 -41.54 -45.15 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.743 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -58.79 -43.14 90.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 26.5 mt-10 -65.99 -32.19 73.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.93 -59.24 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.871 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.8 pt -68.02 -27.4 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -42.93 -30.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.12 -57.28 5.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -60.8 -62.08 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 37' ' ' ILE . 16.8 m -54.57 -32.09 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.15 14.49 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.686 ' H ' HG23 ' A' ' 41' ' ' VAL . 25.0 mt -112.92 140.19 23.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.0 Cg_endo -75.03 145.39 31.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLN . 15.1 p -49.57 -55.08 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.86 -24.23 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.32 -27.88 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' SER . 46.1 mt-30 -75.77 170.12 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 23.7 ttt180 -174.35 81.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 27.5 mt -55.91 127.98 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.5 mt -124.85 135.82 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -144.09 128.06 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.23 23.9 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.7 22.98 68.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.27 150.5 43.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 56' ' ' VAL . 8.1 p -90.92 110.7 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.6 mt -59.68 127.21 30.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -68.72 146.45 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.28 -52.78 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -29.22 63.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 165.17 16.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -118.76 158.14 26.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.785 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.71 -58.69 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASN . 17.6 tt0 -44.0 -52.86 6.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -49.11 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 47.8 m-85 -74.69 -31.59 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 81.47 47.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 73' ' ' ILE . 6.0 m -91.1 18.94 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.94 120.0 21.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.65 11.18 41.16 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -94.07 166.04 12.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -106.59 110.49 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 10' ' ' VAL . 10.4 mt -89.69 163.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.42 99.91 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.617 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 49' ' ' ARG . 3.4 tp -89.68 139.36 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -124.16 143.19 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -106.13 124.09 49.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 161.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . 60.57 162.63 0.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.3 Cg_endo -74.96 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -65.38 146.82 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.64 147.3 27.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -56.42 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.55 1.816 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 m -63.39 -61.53 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.22 95.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -150.06 124.08 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -156.64 117.04 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.36 -162.1 9.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 p -69.31 157.38 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 m 51.71 86.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.69 168.58 16.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 4.5 tt -94.54 130.17 41.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.769 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.537 ' CG ' HG23 ' A' ' 21' ' ' THR . 26.2 tt0 -89.06 147.83 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.502 HG13 HD11 ' A' ' 73' ' ' ILE . 62.1 t -146.05 131.58 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.4 mp -108.38 167.68 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 11' ' ' LEU . 34.9 t -158.85 130.84 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -118.97 110.46 17.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.8 p -78.9 -162.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 15' ' ' LEU . 4.7 mp -91.34 53.07 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.07 26.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.3 m 39.48 62.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 108.47 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.5 m -96.41 131.0 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -121.85 126.83 49.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.537 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -82.13 136.26 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.5 m-85 -130.82 141.19 50.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -113.0 104.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.9 m -126.28 163.35 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.47 122.21 8.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.159 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.58 -41.34 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.7 mt-30 -55.84 -43.86 77.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.9 ttm -37.33 152.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -100.82 172.87 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.584 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.5 t -59.39 -53.7 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 1.2 ttpt -48.39 -67.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . 12.5 mt-10 -38.81 -59.65 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 24' ' ' VAL . 67.8 t80 -45.2 -48.02 12.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 8.4 mttp -54.87 -42.42 72.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.13 -33.45 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.7 -56.67 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 41' ' ' VAL . 31.7 pt -68.14 -33.56 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.48 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.55 40.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.6 m -64.53 -63.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG23 ' H ' ' A' ' 43' ' ' ILE . 32.8 m -56.4 -25.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.26 28.58 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.702 HG23 ' HD2' ' A' ' 44' ' ' PRO . 81.9 mt -126.4 142.37 42.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.702 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.04 143.57 29.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.424 1.75 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 p -50.95 -48.82 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -52.99 -27.1 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -92.61 -25.79 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' OE1' HG21 ' A' ' 41' ' ' VAL . 42.5 mt-30 -78.94 166.17 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' HG3' HG23 ' A' ' 56' ' ' VAL . 33.7 ttm180 -165.07 81.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' CB ' HD12 ' A' ' 57' ' ' LEU . 37.9 mt -60.37 125.28 23.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.502 HD11 ' HG2' ' A' ' 49' ' ' ARG . 15.6 mt -129.55 126.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 53' ' ' GLN . 90.3 t80 -110.83 122.02 46.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 52' ' ' TYR . 1.6 mm100 67.04 -66.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.67 32.53 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm105 -134.81 136.86 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 49' ' ' ARG . 4.5 p -81.24 104.59 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.844 HD22 ' CD2' ' A' ' 66' ' ' TYR . 5.3 mt -51.73 127.0 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.43 137.94 44.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -55.74 29.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -53.08 -37.33 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -59.31 163.52 3.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -117.01 153.82 31.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.17 -59.59 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -47.35 -38.47 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -55.04 -41.71 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.844 ' CD2' HD22 ' A' ' 57' ' ' LEU . 41.1 m-85 -83.97 -8.8 59.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 61.29 45.1 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 66' ' ' TYR . 29.4 m -89.35 14.29 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.71 121.12 25.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.02 12.06 41.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -94.83 167.44 11.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -108.27 112.52 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.586 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.2 mt -91.06 172.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.586 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.2 m-70 -125.81 97.4 5.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.582 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 3.5 tp -85.79 146.73 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.0 m -140.71 142.53 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -106.08 118.3 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.271 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.88 140.61 53.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.59 67.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.431 1.753 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.88 -71.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -123.71 152.88 17.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.63 6.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 t -126.49 -62.7 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.1 p -144.72 103.98 3.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.87 117.82 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.54 148.97 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.06 157.06 12.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.29 -56.54 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.56 157.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.16 -138.94 8.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.6 tt -91.52 133.97 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.481 ' CG ' HG23 ' A' ' 21' ' ' THR . 40.5 tt0 -87.96 144.34 26.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.511 ' CG2' HD23 ' A' ' 8' ' ' LEU . 40.8 t -145.91 128.9 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.3 mp -103.13 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 75' ' ' LEU . 24.5 t -154.86 124.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -114.09 119.39 36.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.3 p -86.66 170.69 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.686 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.74 59.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -177.76 36.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.84 72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -143.32 95.52 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -90.36 139.24 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -138.17 117.21 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.481 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.61 135.97 37.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' VAL . 58.8 m-85 -133.26 142.3 48.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.21 104.34 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 33' ' ' PHE . 29.0 m -126.26 163.34 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.57 122.58 14.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.59 -35.71 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 5.3 mt-30 -62.18 -41.98 98.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.3 ttm -37.56 149.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.493 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.8 p-10 -98.03 172.5 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 ' HA ' HD11 ' A' ' 63' ' ' LEU . 10.7 t -59.65 -48.9 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 2.0 ttpp -52.59 -66.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 38.6 mt-10 -40.26 -53.88 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 24' ' ' VAL . 54.0 t80 -50.65 -43.48 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.674 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.7 mttt -59.34 -44.98 92.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.15 -33.05 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.09 -57.4 6.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -68.97 -31.07 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.93 -32.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.59 -52.99 25.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ILE . 58.0 m -60.43 -58.87 6.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.1 m -65.07 -23.99 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 72.8 8.64 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.806 ' H ' HG23 ' A' ' 41' ' ' VAL . 80.8 mt -105.53 142.09 24.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.93 143.51 29.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLN . 4.2 t -46.7 -54.14 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.63 -21.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE2' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mtmt -92.4 -28.47 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.552 ' OE1' HG21 ' A' ' 41' ' ' VAL . 48.8 mt-30 -84.87 162.84 19.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' A' ' 56' ' ' VAL . 2.7 ttt180 -162.24 76.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.791 ' CB ' HD12 ' A' ' 57' ' ' LEU . 56.4 mt -50.0 136.37 18.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.0 mt -133.79 126.67 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CB ' HD21 ' A' ' 57' ' ' LEU . 54.1 t80 -123.96 123.75 41.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 67.22 17.59 10.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.59 -4.04 81.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.95 129.81 46.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 49' ' ' ARG . 4.7 p -65.63 139.16 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 50' ' ' LEU . 6.0 mt -88.89 126.29 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.21 141.41 57.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -52.49 61.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.03 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -55.96 164.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -118.8 156.99 28.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.79 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -58.59 7.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -42.25 -44.22 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -54.29 23.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 57' ' ' LEU . 56.2 m-85 -69.9 -12.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 61.18 46.41 8.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG13 ' CB ' ' A' ' 66' ' ' TYR . 32.8 m -88.67 11.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.69 118.24 9.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.41 10.39 42.27 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -93.32 166.13 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.2 t -105.81 112.77 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.6 mt -91.97 169.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 90.8 m-70 -119.51 96.94 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -84.24 148.73 26.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.71 142.13 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.76 ' HG3' HD13 ' A' ' 43' ' ' ILE . 1.7 tm-20 -112.63 130.21 56.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -69.99 112.52 6.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.64 152.95 78.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 64.68 6.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -129.02 -60.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.94 -131.32 10.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.9 p -150.24 138.16 20.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.79 94.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.052 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 161.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.92 -58.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.74 140.74 11.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.96 -57.99 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.73 107.52 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 110.031 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.53 167.5 23.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 10' ' ' VAL . 3.9 tt -95.97 131.75 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 21' ' ' THR . 30.4 tt0 -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.556 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.3 t -144.73 129.71 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.4 mp -102.32 168.99 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.545 HG13 ' HB3' ' A' ' 75' ' ' LEU . 71.9 t -156.57 116.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.12 121.32 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -87.81 179.6 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -80.56 54.23 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -168.73 32.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.7 70.83 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -143.54 90.58 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.442 ' CG2' HD23 ' A' ' 11' ' ' LEU . 75.3 m -87.95 135.83 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.388 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -133.48 120.23 20.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -81.04 135.98 35.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 61.7 m-85 -131.62 139.49 49.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mm -112.87 104.33 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.55 163.21 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.2 122.61 15.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.85 -40.09 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.6 mm-40 -56.55 -43.98 80.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.71 146.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -95.84 177.82 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.545 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.4 t -63.35 -57.33 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -44.39 -64.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLU . 19.8 mt-10 -42.22 -59.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CD1' HG21 ' A' ' 24' ' ' VAL . 47.8 t80 -45.4 -40.88 8.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.796 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.8 mttt -65.13 -35.51 81.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' GLU . 37.1 mt-10 -71.51 -35.07 70.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -67.37 -56.29 10.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.755 ' O ' HG22 ' A' ' 41' ' ' VAL . 14.3 pt -68.5 -31.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.63 -33.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.21 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -62.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.3 m -60.98 -32.73 53.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 78.43 14.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.704 ' H ' HG23 ' A' ' 41' ' ' VAL . 71.6 mt -106.86 141.19 22.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.04 143.74 29.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.8 p -55.94 -44.49 78.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -56.0 -19.81 14.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -100.82 -25.74 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -71.18 170.88 12.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 53.4 ttt180 -171.72 76.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.86 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.4 mt -57.38 131.42 50.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.5 mt -134.14 128.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 66.9 t80 -134.66 121.55 21.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 87.42 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.36 -17.07 1.68 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.23 133.91 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.12 135.43 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' LEU . 12.2 mt -76.67 126.53 31.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.48 137.11 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -43.9 98.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -30.23 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -68.95 168.41 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -120.26 155.93 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.99 -60.24 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -44.91 -43.82 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.37 -53.53 21.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 57' ' ' LEU . 50.6 m-85 -70.06 -16.03 63.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 35.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 26.9 m -81.81 4.6 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 10.19 41.38 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -94.17 166.21 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -105.32 116.0 48.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.5 mt -94.42 172.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 55.2 m-70 -125.57 94.74 4.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -87.67 137.25 32.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m -122.41 145.54 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.582 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.6 tt0 -114.21 128.21 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -63.37 169.56 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.13 43.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -64.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.63 157.91 23.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 78.04 3.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.93 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 t -157.4 122.5 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 141.59 58.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 110.03 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -109.69 130.5 55.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.24 -135.02 4.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.17 -57.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.97 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.22 127.3 43.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.58 164.7 23.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 10' ' ' VAL . 2.4 tt -96.43 134.29 39.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.4 tt0 -91.87 145.73 24.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.598 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.1 t -146.24 129.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mp -105.67 169.12 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 11' ' ' LEU . 25.6 t -156.71 125.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 137.15 52.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.1 p -120.12 178.94 4.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -25.83 62.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -16.86 62.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.98 71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.048 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -149.02 64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.434 ' CG2' HD23 ' A' ' 11' ' ' LEU . 87.8 m -38.76 135.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -130.22 117.6 20.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.476 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.29 135.62 37.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' VAL . 59.1 m-85 -132.04 138.37 48.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mm -111.0 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -128.02 163.29 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.75 123.19 9.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.02 -38.57 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -57.65 -43.89 85.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 54.4 ttm -38.19 147.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.1 p-10 -98.24 166.41 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 34' ' ' LYS . 20.9 t -54.58 -53.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -46.08 -60.78 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLU . 32.8 mt-10 -49.01 -57.95 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 59.8 t80 -44.74 -38.24 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.76 ' HD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mttm -66.53 -38.7 87.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 30.8 mt-10 -70.94 -33.67 70.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.52 -49.45 63.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.834 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.2 pt -77.04 -29.34 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.71 -35.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.77 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m -62.0 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.853 HG23 ' H ' ' A' ' 43' ' ' ILE . 26.9 m -53.58 -31.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.84 16.56 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.853 ' H ' HG23 ' A' ' 41' ' ' VAL . 69.6 mt -116.54 141.19 27.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -75.0 144.04 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.545 1.813 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 p -54.72 -37.09 65.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -66.03 -12.38 54.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -111.15 -17.37 13.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.511 ' OE1' HD11 ' A' ' 37' ' ' ILE . 41.8 mt-30 -81.75 165.05 21.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' HG2' HG23 ' A' ' 56' ' ' VAL . 49.8 ttt180 -166.23 87.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.827 ' CB ' HD12 ' A' ' 57' ' ' LEU . 21.8 mt -67.07 136.41 55.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.434 HD11 ' NE ' ' A' ' 49' ' ' ARG . 36.5 mt -137.54 127.83 37.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 40.4 t80 -134.66 122.96 22.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER 86.33 -37.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.35 -18.25 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.11 134.4 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.7 p -65.26 142.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.827 HD12 ' CB ' ' A' ' 50' ' ' LEU . 10.5 mt -81.58 131.28 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 142.71 49.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -47.15 68.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -16.93 63.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.04 169.17 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -120.44 158.05 28.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.51 -58.54 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 67' ' ' ASN . 37.6 tt0 -41.32 -52.57 3.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -58.72 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 57' ' ' LEU . 60.5 m-85 -65.22 -28.41 69.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER 79.88 46.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 32.6 m -91.68 20.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.82 116.43 9.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.27 10.15 46.28 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -93.03 169.68 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -107.0 121.71 60.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.6 mt -99.36 172.01 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' H ' HG22 ' A' ' 73' ' ' ILE . 84.4 m-70 -124.62 93.47 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -87.04 140.3 29.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.612 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -129.01 143.33 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' HB2' HD13 ' A' ' 43' ' ' ILE . 3.1 tt0 -111.41 123.42 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 131.2 48.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 66.33 160.55 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.53 163.32 28.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -170.71 97.3 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.88 19.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -162.8 160.55 25.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.7 p -157.35 109.53 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.93 128.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 p -125.27 -61.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.82 136.11 3.65 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -86.85 -57.29 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -108.83 82.37 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.77 175.27 21.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.7 tt -99.88 133.05 44.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' HA ' HD13 ' A' ' 23' ' ' ILE . 33.5 tt0 -87.53 139.21 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG13 HD11 ' A' ' 73' ' ' ILE . 47.2 t -140.69 126.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -104.65 152.22 22.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 67.8 t -137.33 131.71 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -111.4 146.37 37.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.0 p -114.01 -169.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.38 -22.78 43.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -89.14 8.97 27.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t 55.92 65.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -129.11 85.85 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.248 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.0 m -70.07 130.31 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 33.3 mtt180 -128.19 123.62 34.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -82.12 132.34 35.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -129.36 142.37 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 9' ' ' GLU . 11.0 mm -115.57 104.31 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.77 163.42 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.33 122.21 9.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.89 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 44.3 mm-40 -55.37 -44.11 75.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.3 ttm -37.23 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.2 p-10 -98.05 169.54 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' HD11 ' A' ' 63' ' ' LEU . 16.8 t -55.87 -49.67 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 3.2 ttmt -51.31 -67.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 37.4 mt-10 -38.92 -54.78 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' HG21 ' A' ' 24' ' ' VAL . 29.5 t80 -49.36 -47.61 47.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 17.9 mttt -53.25 -45.17 68.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -66.76 -33.91 76.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -65.58 -56.88 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.8 pt -69.68 -32.8 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -30.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -72.26 -58.3 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.3 m -62.08 -54.93 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 37' ' ' ILE . 27.7 m -63.62 -30.93 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 32.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.596 ' H ' HG23 ' A' ' 41' ' ' VAL . 23.0 mt -129.51 139.89 37.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.06 144.23 29.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 p -54.68 -38.95 67.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.59 -15.37 51.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -107.16 -27.76 10.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.58 162.88 27.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 56' ' ' VAL . 4.9 ttm180 -169.15 76.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.763 ' CB ' HD12 ' A' ' 57' ' ' LEU . 44.8 mt -50.14 139.09 14.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -132.27 131.16 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -135.59 122.89 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 63.45 29.52 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.42 67.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -131.24 127.8 38.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 56' ' ' VAL . 4.1 p -71.75 113.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.763 HD12 ' CB ' ' A' ' 50' ' ' LEU . 7.4 mt -63.24 140.88 58.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.22 137.49 34.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -47.66 83.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -34.84 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.19 169.71 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -122.08 157.04 32.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.84 -59.3 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -42.98 -42.84 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -45.53 70.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.613 ' CE1' HD23 ' A' ' 57' ' ' LEU . 48.4 m-85 -77.89 -9.95 59.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 61.5 47.31 6.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 66' ' ' TYR . 13.1 m -94.85 26.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.5 104.86 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.71 -11.73 58.59 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -72.13 165.94 23.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -106.39 110.64 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 10' ' ' VAL . 7.9 mt -87.8 166.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 73' ' ' ILE . 95.0 m-70 -119.55 99.26 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.597 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' ' 76' ' ' VAL . 9.2 tp -82.47 155.04 24.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.5 m -141.19 142.83 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HB2' HD13 ' A' ' 43' ' ' ILE . 9.1 tt0 -119.0 124.29 46.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.94 152.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.26 106.19 0.54 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 70.47 5.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -167.75 -60.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.9 -160.82 23.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 60.08 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.69 -59.99 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.39 -58.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -41.71 153.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 130.0 38.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.25 114.05 0.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 94.72 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 t -144.56 83.33 1.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.54 -176.32 26.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.0 tt -98.15 134.83 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' HA ' HD13 ' A' ' 23' ' ' ILE . 57.4 tt0 -87.03 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG13 HD11 ' A' ' 73' ' ' ILE . 45.9 t -140.44 130.71 28.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.7 mp -106.18 163.82 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.5 t -150.76 116.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -110.79 110.68 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -75.73 -171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 15' ' ' LEU . 3.4 mp -87.87 61.11 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 38.6 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -145.46 89.96 1.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -86.05 144.44 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -135.57 117.19 14.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -78.34 134.34 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -133.25 140.64 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 9' ' ' GLU . 9.6 mm -113.75 104.16 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -127.06 163.42 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.27 121.47 9.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -50.27 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 mm-40 -45.47 -43.58 11.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.9 ttm -36.93 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -103.26 163.92 11.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG12 ' HD2' ' A' ' 34' ' ' LYS . 37.8 t -51.11 -54.03 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -47.91 -62.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 27.9 mt-10 -45.39 -57.65 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.61 ' CD1' HG21 ' A' ' 24' ' ' VAL . 65.0 t80 -46.12 -39.02 8.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HD2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -65.13 -46.77 79.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 27.2 mt-10 -59.83 -34.04 72.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -67.55 -62.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.86 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.3 pt -61.89 -28.31 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.52 -37.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.81 -63.27 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -57.96 -62.12 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG23 ' H ' ' A' ' 43' ' ' ILE . 27.8 m -54.96 -30.55 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER 68.37 19.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.9 ' H ' HG23 ' A' ' 41' ' ' VAL . 97.7 mt -114.69 142.45 28.29 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 142.99 28.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.808 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 p -56.71 -19.81 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -75.88 -30.15 58.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -94.78 -15.71 23.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 37' ' ' ILE . 43.4 mt-30 -79.83 168.8 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HB3' ' CG2' ' A' ' 76' ' ' VAL . 2.0 ttm105 -178.81 76.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' CB ' HD12 ' A' ' 57' ' ' LEU . 29.3 mt -55.17 138.47 44.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.681 HG12 HG22 ' A' ' 56' ' ' VAL . 41.8 mt -138.44 126.42 29.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 53' ' ' GLN . 89.5 t80 -111.26 122.25 47.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.576 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 67.4 mt-30 68.09 -66.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.29 32.59 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -137.08 136.25 38.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.241 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 HG12 ' A' ' 51' ' ' ILE . 42.8 t -80.5 111.78 17.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.813 HD22 ' CD2' ' A' ' 66' ' ' TYR . 3.8 mt -58.82 125.89 25.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 144.66 51.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -55.67 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -29.41 57.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.34 163.28 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -118.3 156.24 29.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.95 -58.84 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -43.98 -41.56 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -49.6 60.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.813 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.8 m-85 -77.36 -11.96 59.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.06 51.79 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 21.7 m -97.0 25.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.64 104.61 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.57 -16.4 45.61 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -68.27 166.43 16.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.3 t -106.99 114.09 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 HG13 ' A' ' 10' ' ' VAL . 5.6 mt -90.86 170.2 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.51 ' H ' HG22 ' A' ' 73' ' ' ILE . 78.9 m-70 -123.4 96.1 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.9 tp -81.71 153.41 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 36.0 m -138.56 143.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.708 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.2 tt0 -118.88 129.59 55.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -67.78 160.96 27.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.78 159.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -51.57 107.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.33 -148.92 50.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.02 5.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.99 127.29 32.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 m 60.3 111.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -166.28 141.23 4.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 0.76 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 113.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.75 74.75 0.26 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.18 151.07 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 p -59.07 139.07 57.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.44 141.46 3.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD23 HG23 ' A' ' 10' ' ' VAL . 2.7 tt -90.46 133.58 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' OE2' ' CG2' ' A' ' 21' ' ' THR . 53.4 tt0 -88.13 146.56 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 73' ' ' ILE . 48.8 t -149.14 129.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -106.64 164.96 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 75' ' ' LEU . 42.5 t -150.26 127.59 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.81 152.58 23.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.0 p -124.71 -167.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -21.89 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -87.53 6.23 35.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 t 58.04 42.21 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.71 98.0 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.5 m -86.43 128.79 34.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -126.25 129.95 49.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.489 ' CG2' ' OE2' ' A' ' 9' ' ' GLU . 1.2 m -83.69 140.58 32.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 10' ' ' VAL . 62.8 m-85 -134.28 137.07 43.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.83 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -127.8 163.51 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -72.16 123.16 9.28 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -41.43 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 28' ' ' MET . 6.2 mt-30 -55.1 -43.69 74.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.3 ttm -37.24 154.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.4 p-10 -108.13 161.05 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 50' ' ' LEU . 46.3 t -50.86 -56.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -43.91 -54.65 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' HG21 ' A' ' 24' ' ' VAL . 72.4 t80 -46.18 -36.43 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 30' ' ' VAL . 9.6 mttm -64.11 -47.25 80.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.7 mt-10 -61.56 -38.18 86.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -59.51 -51.24 70.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.823 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.1 pt -73.4 -31.3 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -40.74 -31.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.38 -54.55 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 51.1 m -66.41 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -54.7 -31.04 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.16 20.61 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.764 ' H ' HG23 ' A' ' 41' ' ' VAL . 85.6 mt -116.93 141.65 28.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -74.97 144.14 30.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.7 p -52.7 -41.75 64.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -61.39 -14.04 24.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 -16.75 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' OE1' HD11 ' A' ' 37' ' ' ILE . 72.3 mt-30 -76.98 165.79 24.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HB3' HG23 ' A' ' 76' ' ' VAL . 63.6 ttt180 -168.59 74.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.72 HD12 HG13 ' A' ' 30' ' ' VAL . 60.3 mt -57.11 133.41 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 26.2 mt -136.33 126.21 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 68' ' ' VAL . 32.4 t80 -115.24 121.86 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.3 -65.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.23 33.61 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.6 mtt180 -139.45 142.18 37.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.19 123.66 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.773 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.6 mt -76.08 113.44 13.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.43 157.68 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 -21.89 15.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.59 167.79 21.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -113.7 155.56 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.75 -58.33 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.42 -54.93 14.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.773 ' CE1' HD23 ' A' ' 57' ' ' LEU . 69.4 m-85 -68.5 -14.51 63.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 61.08 49.43 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 52' ' ' TYR . 34.5 m -92.66 25.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.51 114.16 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.76 6.77 52.75 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -89.28 167.72 12.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.3 t -108.02 118.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.3 mt -95.56 172.4 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.4 m-70 -125.62 91.56 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.554 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -84.44 147.72 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.428 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.9 m -137.25 143.8 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -114.2 127.51 55.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.08 161.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.23 157.83 62.49 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 94.39 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 t -79.07 106.07 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.52 93.13 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.29 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -149.72 110.02 4.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.4 p -130.59 117.36 19.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -158.93 162.74 36.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.81 165.21 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.75 -80.22 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -62.59 129.62 41.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 m -66.7 109.43 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.39 172.73 22.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -97.44 139.76 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' CG ' HG23 ' A' ' 21' ' ' THR . 18.2 tt0 -93.98 144.61 25.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.583 HG13 HD11 ' A' ' 73' ' ' ILE . 58.2 t -145.75 129.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -107.0 165.52 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.4 t -150.13 116.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -104.0 112.5 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.0 p -81.06 172.67 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.96 57.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -174.17 35.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.31 74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -150.73 88.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -85.56 138.12 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -132.89 117.95 18.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -77.12 137.82 39.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.3 m-85 -133.61 143.69 48.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mm -116.32 104.21 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -128.02 163.37 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.44 122.62 15.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.14 -37.51 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' MET . 34.9 mt-30 -59.92 -42.33 93.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.1 ttm -37.02 145.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.5 p-10 -96.65 165.86 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.602 ' HA ' HD11 ' A' ' 63' ' ' LEU . 17.4 t -53.66 -48.35 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -51.66 -67.58 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -39.74 -55.8 1.85 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HD2' HD11 ' A' ' 50' ' ' LEU . 52.0 t80 -46.62 -48.27 19.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 32.3 mttt -52.89 -45.4 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -66.45 -32.2 73.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 81.2 t60 -67.79 -57.4 6.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 41' ' ' VAL . 28.6 pt -68.95 -33.25 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -41.02 -30.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.74 -55.14 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -66.52 -63.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.4 m -54.03 -28.26 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 26.79 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.729 ' H ' HG23 ' A' ' 41' ' ' VAL . 33.3 mt -124.29 141.04 36.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.1 143.61 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 p -52.91 -44.02 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.21 -15.59 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -106.37 -23.17 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 55.5 mt-30 -80.03 159.42 26.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 56' ' ' VAL . 33.3 ttt180 -157.88 85.28 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.764 ' CB ' HD12 ' A' ' 57' ' ' LEU . 53.3 mt -63.5 124.89 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.8 mt -129.22 126.4 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -114.71 121.37 43.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 69.27 -63.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.04 34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.98 131.82 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 56' ' ' VAL . 11.4 p -75.49 108.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.405 1.066 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.0 mt -55.91 124.42 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.49 142.95 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -63.31 -55.78 21.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -51.35 -39.91 58.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -58.85 166.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -120.17 157.13 29.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.759 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.68 -59.13 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASN . 42.5 tt0 -42.88 -54.27 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.01 -50.18 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CE1' HD23 ' A' ' 57' ' ' LEU . 45.3 m-85 -71.85 -32.42 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.1 t30 81.53 47.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 m -90.54 17.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.12 114.48 6.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.17 6.26 52.45 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -88.93 167.1 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 t -107.86 113.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 HG13 ' A' ' 10' ' ' VAL . 6.0 mt -91.99 171.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.0 m-70 -124.6 96.88 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HB3' HG13 ' A' ' 12' ' ' VAL . 7.3 tp -89.72 145.31 25.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 33.7 m -132.27 148.67 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 43' ' ' ILE . 1.5 tt0 -117.65 124.47 48.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -51.06 171.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 78' ' ' ARG . . . 68.92 153.57 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.38 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 m -113.33 -59.19 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.45 -178.13 38.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.03 37.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.4 t -127.73 131.98 49.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -61.67 116.82 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.08 149.81 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.65 149.12 46.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.25 96.09 2.04 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -170.65 153.8 4.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 110.034 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.03 155.66 23.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.58 -174.9 44.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.494 HD23 HG23 ' A' ' 10' ' ' VAL . 2.1 tt -92.36 135.18 34.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' CG ' HG23 ' A' ' 21' ' ' THR . 33.2 tt0 -90.1 144.58 25.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.571 HG13 HD11 ' A' ' 73' ' ' ILE . 51.2 t -145.65 128.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.2 mp -104.05 169.15 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.622 HG13 ' HB3' ' A' ' 75' ' ' LEU . 38.0 t -155.85 116.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -109.45 106.53 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.8 p -70.43 -173.25 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.72 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -160.33 28.16 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t 45.47 69.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.17 81.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 11' ' ' LEU . 84.8 m -76.28 133.62 40.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -132.4 117.37 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.59 135.15 37.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' VAL . 56.6 m-85 -132.25 140.55 48.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mm -114.13 104.37 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 33' ' ' PHE . 27.1 m -126.56 163.35 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.3 121.69 13.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.01 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' MET . 54.5 mt-30 -52.88 -42.64 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' GLY . 46.4 ttm -36.87 153.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 1.8 p-10 -106.96 160.25 15.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.55 ' HA ' HD11 ' A' ' 63' ' ' LEU . 51.1 t -48.4 -52.95 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -49.28 -61.15 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -48.29 -53.04 18.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HD1' HG21 ' A' ' 24' ' ' VAL . 76.8 t80 -51.13 -44.56 61.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 30' ' ' VAL . 8.0 mttp -54.82 -54.5 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 20.1 mt-10 -55.76 -37.98 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -58.97 -57.12 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 41' ' ' VAL . 36.2 pt -67.81 -31.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -42.0 -29.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.59 -51.75 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.9 m -70.95 -63.45 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.787 HG23 ' H ' ' A' ' 43' ' ' ILE . 28.1 m -53.25 -32.09 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.68 20.03 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.787 ' H ' HG23 ' A' ' 41' ' ' VAL . 14.9 mt -117.32 139.96 26.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.92 144.87 31.08 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -50.91 -50.42 57.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.4 -20.65 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -98.61 -27.7 13.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' HG21 ' A' ' 41' ' ' VAL . 39.3 mt-30 -80.93 162.76 23.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' CG ' HG23 ' A' ' 56' ' ' VAL . 2.3 ttm180 -165.28 78.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.615 ' CB ' HD12 ' A' ' 57' ' ' LEU . 72.3 mt -51.37 134.49 28.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.43 HD11 ' HD3' ' A' ' 49' ' ' ARG . 34.2 mt -137.86 126.36 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' GLY . 61.2 t80 -109.96 122.57 47.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 52' ' ' TYR . 46.3 mm-40 66.33 -68.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -172.2 32.18 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -134.02 133.56 41.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 56' ' ' VAL . 4.7 p -75.75 116.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD22 ' CD2' ' A' ' 66' ' ' TYR . 4.6 mt -67.46 121.9 16.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -59.99 125.77 24.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -24.52 43.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -32.89 26.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.1 mmtp -63.12 166.66 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -114.47 155.0 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.784 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.6 -60.04 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -42.71 -41.54 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -53.84 38.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD2' HD22 ' A' ' 57' ' ' LEU . 58.9 m-85 -72.7 -7.06 48.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.52 49.08 11.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 33.4 m -91.96 20.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.1 113.04 5.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.46 55.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -86.16 169.27 13.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -109.57 115.7 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.59 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.9 mt -95.12 173.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.59 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.1 m-70 -125.99 92.45 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HB3' HG13 ' A' ' 12' ' ' VAL . 4.4 tp -81.3 147.81 29.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 27.1 m -128.36 144.94 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.9 tt0 -113.44 119.25 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.06 134.23 56.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 61.44 105.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.06 4.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 t -151.45 136.43 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 141.98 98.86 0.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 145.47 31.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -114.69 118.91 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.1 p -103.76 122.68 45.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m 63.4 133.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -165.52 120.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.03 179.0 31.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.127 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -145.67 -57.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -99.77 127.48 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.56 -173.86 36.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -87.3 135.74 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 31.9 tt0 -92.65 145.69 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 73' ' ' ILE . 56.8 t -145.58 131.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HG23 ' A' ' 12' ' ' VAL . 7.1 mp -107.22 169.42 8.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 70.3 t -155.63 118.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -105.75 134.95 48.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -101.75 -177.4 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.39 45.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.29 32.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 m 43.18 78.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -156.2 84.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -90.16 138.76 31.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 10.6 mtt-85 -130.13 169.83 14.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -122.89 136.5 54.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' ILE . 65.6 m-85 -132.11 137.81 47.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.1 mm -112.52 104.3 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.3 m -126.66 163.43 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.61 122.44 9.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 64' ' ' GLN . . . -41.65 -43.9 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 30.9 mt-30 -52.7 -44.59 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 49.8 ttm -37.22 150.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.1 p-10 -100.63 168.49 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' HD11 ' A' ' 63' ' ' LEU . 13.4 t -56.1 -56.32 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 -61.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLU . 24.7 mt-10 -47.08 -59.67 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.4 t80 -43.86 -44.06 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.764 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.9 mttm -58.52 -41.78 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' GLU . 39.2 mt-10 -67.95 -32.38 72.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.72 -57.62 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.5 pt -70.3 -29.54 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.3 -31.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -69.98 -56.23 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 m -63.15 -60.36 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 37' ' ' ILE . 26.8 m -59.36 -24.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 t 65.09 25.41 12.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 44' ' ' PRO . 91.8 mt -118.7 142.34 31.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.4 Cg_endo -74.91 143.22 29.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -58.57 -18.33 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.48 -31.3 47.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -93.65 -16.47 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.3 mt-30 -76.97 160.7 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.499 ' CG ' HG23 ' A' ' 56' ' ' VAL . 77.6 ttt180 -163.84 75.06 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 75' ' ' LEU . 44.2 mt -61.3 126.67 28.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.54 126.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 54' ' ' GLY . 90.3 t80 -111.67 126.8 55.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 66.71 -67.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -173.47 32.41 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -139.3 134.1 32.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.8 p -73.23 106.45 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' A' ' 66' ' ' TYR . 7.1 mt -49.82 116.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 HE22 HG13 ' A' ' 56' ' ' VAL . 4.7 mp0 -63.83 142.72 58.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -57.31 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -34.74 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -61.01 163.68 5.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -118.59 155.86 30.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.809 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -58.59 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 7.8 tt0 -43.81 -47.95 8.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -53.57 9.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.747 ' CD2' HD22 ' A' ' 57' ' ' LEU . 40.1 m-85 -68.61 -26.86 65.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 1.8 t30 80.22 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.7 m -93.02 27.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.76 110.34 3.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.64 5.11 55.47 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -84.86 172.06 11.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -110.66 116.35 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 5.0 mt -94.84 173.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.595 ' H ' HG22 ' A' ' 73' ' ' ILE . 65.1 m-70 -126.63 95.66 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB2' HD23 ' A' ' 50' ' ' LEU . 9.3 tp -86.67 150.65 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.98 143.11 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 43' ' ' ILE . 2.6 tt0 -114.88 137.96 51.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -64.09 -175.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.42 154.63 62.68 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.55 3.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.412 1.743 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.0 p -126.69 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -155.83 97.9 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.4 9.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 t -105.92 102.6 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 p -74.66 124.59 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.4 70.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.024 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.81 124.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -107.08 0.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.459 1.1 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.55 107.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m 59.55 74.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.94 137.15 13.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 10' ' ' VAL . 3.5 tt -91.41 131.39 36.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' CG ' HG23 ' A' ' 21' ' ' THR . 48.8 tt0 -88.76 149.02 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' HD11 ' A' ' 73' ' ' ILE . 42.7 t -148.76 126.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 11' ' ' LEU . 5.6 mp -102.24 156.42 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 75' ' ' LEU . 20.0 t -139.64 116.89 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -109.07 114.64 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -81.46 -165.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -94.8 48.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.92 30.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t 43.38 65.01 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -136.94 87.27 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -85.18 134.62 34.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -131.89 119.74 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -78.23 134.1 37.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 52.4 m-85 -131.4 139.42 49.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mm -112.2 104.79 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -126.18 163.33 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -69.89 123.0 12.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.06 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.28 -36.23 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.2 mm-40 -61.53 -42.33 98.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.2 ttm -37.65 147.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 2.9 p-10 -97.61 168.12 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 63' ' ' LEU . 12.6 t -55.82 -50.05 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 11.6 tttt -50.67 -66.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 49.6 mt-10 -40.84 -56.9 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' HD2' HD11 ' A' ' 50' ' ' LEU . 66.2 t80 -46.44 -48.7 18.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.7 mttt -52.93 -45.72 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.6 -32.22 73.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.82 -56.82 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.633 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.702 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.6 pt -70.05 -26.45 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -47.4 -28.68 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.05 -46.4 57.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -70.12 -60.12 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.801 HG21 ' OE1' ' A' ' 48' ' ' GLN . 31.7 m -60.33 -19.81 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.98 26.96 10.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 44' ' ' PRO . 76.0 mt -127.16 141.73 41.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -75.03 143.57 29.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 t -48.45 -50.29 31.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.3 -20.06 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -98.0 -27.33 14.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.801 ' OE1' HG21 ' A' ' 41' ' ' VAL . 43.3 mt-30 -84.09 159.32 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 56' ' ' VAL . 12.0 ttt180 -159.16 81.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.819 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -54.34 130.32 38.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.93 127.28 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 57' ' ' LEU . 51.6 t80 -137.37 130.23 30.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 66.12 10.61 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.24 43.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -128.61 124.81 36.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' CG ' ' A' ' 49' ' ' ARG . 7.2 p -61.52 106.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD12 ' CB ' ' A' ' 50' ' ' LEU . 8.5 mt -52.99 129.13 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -71.13 143.07 50.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -54.84 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -53.36 -36.2 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.49 168.08 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -121.2 157.91 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.776 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.24 -58.63 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 12.4 tt0 -43.06 -51.79 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.71 -48.29 4.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.7 ' CE1' HD23 ' A' ' 57' ' ' LEU . 51.9 m-85 -75.19 -28.37 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.5 t-20 79.37 46.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.62 15.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.97 114.36 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.3 8.49 55.22 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -90.96 166.3 13.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 t -107.24 113.49 43.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 74' ' ' HIS . 5.7 mt -91.2 172.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' H ' HG22 ' A' ' 73' ' ' ILE . 74.7 m-70 -124.2 95.37 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -85.84 140.55 30.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' N ' HD12 ' A' ' 75' ' ' LEU . 27.1 m -126.45 142.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG3' HG21 ' A' ' 43' ' ' ILE . 9.5 tt0 -110.8 133.53 53.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -49.06 108.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 63.07 152.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.03 4.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.8 p -138.64 155.33 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.46 132.34 10.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 84' ' ' SER . 18.2 Cg_endo -74.97 65.58 6.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' PRO . 0.3 OUTLIER 43.46 92.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -130.8 85.63 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.57 144.89 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -160.3 124.05 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.37 148.37 17.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.69 -56.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 78.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.21 177.19 18.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD23 HG23 ' A' ' 10' ' ' VAL . 3.0 tt -91.56 132.63 36.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 21' ' ' THR . 51.2 tt0 -92.73 148.24 22.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.0 t -147.87 128.36 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.1 mp -101.26 169.29 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 11' ' ' LEU . 77.3 t -152.78 117.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -106.96 105.9 16.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.6 p -73.47 -165.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.31 55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -173.82 35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p 40.25 73.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -144.64 84.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -83.11 125.77 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -123.0 120.87 34.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -79.13 138.02 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.442 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' VAL . 62.1 m-85 -133.75 136.15 44.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.35 104.48 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG21 ' CD1' ' A' ' 33' ' ' PHE . 26.9 m -127.97 163.39 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.28 134.96 45.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -15.91 40.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.69 -25.73 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.516 ' O ' HD22 ' A' ' 63' ' ' LEU . 51.2 ttm -52.01 141.09 18.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.8 p-10 -89.18 169.07 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.834 HG13 HD12 ' A' ' 50' ' ' LEU . 26.4 t -56.09 -52.52 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLU . 4.3 ttpt -47.57 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . 19.7 mt-10 -38.43 -58.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 24' ' ' VAL . 38.9 t80 -45.88 -42.96 13.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.7 mttt -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.23 -32.47 70.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -67.01 -57.56 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.622 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.815 ' O ' HG22 ' A' ' 41' ' ' VAL . 26.2 pt -68.49 -32.51 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.73 -31.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -66.13 -57.8 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -62.79 -63.28 1.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 37' ' ' ILE . 15.9 m -54.67 -32.15 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.65 23.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 44' ' ' PRO . 66.4 mt -113.79 141.6 26.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.2 Cg_endo -74.96 148.09 35.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.3 p -65.86 -16.84 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.41 -12.4 54.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 10.9 mtpp -113.93 -3.45 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' HG2' HD11 ' A' ' 75' ' ' LEU . 41.6 mt-30 -89.18 162.19 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.618 ' HE ' HG21 ' A' ' 56' ' ' VAL . 27.8 ttt180 -162.33 84.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 30' ' ' VAL . 59.7 mt -64.83 130.29 42.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 49' ' ' ARG . 24.9 mt -136.08 126.53 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' GLY . 58.9 t80 -113.86 121.65 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 68.57 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -175.56 33.5 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.76 133.77 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.618 HG21 ' HE ' ' A' ' 49' ' ' ARG . 9.9 p -75.97 111.71 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.793 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.7 mt -61.45 121.66 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -64.54 138.0 58.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -38.73 90.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -39.72 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -62.31 161.06 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 29' ' ' ASN . 2.7 mttm -110.44 160.69 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.78 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -59.2 -57.51 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASN . 36.3 tt0 -43.95 -52.23 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -49.58 3.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.2 m-85 -74.02 -29.49 61.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 2.2 t-20 81.72 42.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 14.2 m -88.97 14.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.95 114.26 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.09 5.39 53.13 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -88.8 170.68 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.67 112.24 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 HG13 ' A' ' 10' ' ' VAL . 10.1 mt -91.87 170.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.526 ' H ' HG22 ' A' ' 73' ' ' ILE . 73.4 m-70 -124.57 99.84 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB2' HD23 ' A' ' 50' ' ' LEU . 4.0 tp -94.43 142.84 26.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 ' H ' HD12 ' A' ' 75' ' ' LEU . 35.0 m -131.84 145.83 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -108.62 137.06 47.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -64.56 168.16 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.29 155.04 49.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 151.76 40.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 t -162.34 137.77 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.053 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 44.3 -161.12 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.04 130.76 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.75 124.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.099 . . . . 0.0 110.971 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.1 101.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.72 110.73 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.48 173.44 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.88 86.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.92 103.81 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.87 -158.7 28.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.543 HD23 HG23 ' A' ' 10' ' ' VAL . 2.8 tt -91.65 133.47 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' CG ' HG23 ' A' ' 21' ' ' THR . 41.1 tt0 -88.44 145.57 25.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 55.6 t -148.1 128.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.522 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -104.25 169.19 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 69.1 t -155.41 127.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.07 133.18 56.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.4 p -121.96 -174.85 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.28 -47.12 66.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -46.76 -37.24 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 16' ' ' ASP . 2.9 t 79.12 48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -130.8 82.06 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.522 ' CG2' HD23 ' A' ' 11' ' ' LEU . 67.9 m -48.66 135.31 14.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -127.8 117.37 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.473 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.2 m -78.56 136.35 37.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' VAL . 60.2 m-85 -132.97 136.66 46.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.5 mm -110.67 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.3 m -126.22 163.28 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.72 122.49 17.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.65 -38.07 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -59.26 -43.01 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.9 ttm -38.89 149.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -105.17 153.34 21.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.955 HG13 HD12 ' A' ' 50' ' ' LEU . 70.3 t -43.28 -47.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -47.35 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' GLU . 34.8 mt-10 -51.81 -54.26 30.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.595 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 58.9 t80 -44.29 -34.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.781 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 6.4 mttm -70.34 -41.71 72.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.4 mt-10 -67.94 -30.19 69.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -68.82 -60.51 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.7 pt -68.59 -27.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.781 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.94 -30.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -73.23 -54.91 7.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -62.33 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' H ' ' A' ' 43' ' ' ILE . 33.8 m -54.73 -31.11 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.94 26.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.765 ' H ' HG23 ' A' ' 41' ' ' VAL . 89.2 mt -123.53 141.8 37.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.88 29.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -50.2 -47.01 54.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -56.21 -18.75 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -98.39 -27.66 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' HG2' HD11 ' A' ' 75' ' ' LEU . 61.3 mt-30 -67.69 162.33 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.597 ' CD ' HD11 ' A' ' 51' ' ' ILE . 46.6 ttt180 -166.66 73.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.955 HD12 HG13 ' A' ' 30' ' ' VAL . 62.0 mt -56.73 127.63 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.597 HD11 ' CD ' ' A' ' 49' ' ' ARG . 20.6 mt -135.2 126.35 45.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.662 ' CD2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.21 121.26 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.3 -65.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -177.52 34.06 0.08 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.571 1.17 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 3.1 mtt-85 -137.65 138.09 39.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 56' ' ' VAL . 9.1 p -80.34 111.23 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.1 mt -63.21 121.9 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -63.65 140.8 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.8 -31.37 71.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -72.8 -38.34 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 66' ' ' TYR . 2.7 mmtt -59.06 169.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -117.3 154.71 30.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.4 -60.16 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -44.94 -45.35 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.59 -56.24 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' HD22 ' A' ' 57' ' ' LEU . 55.1 m-85 -67.63 -23.03 65.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.8 t-20 78.22 44.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG12 ' CD2' ' A' ' 52' ' ' TYR . 31.2 m -93.38 25.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.85 112.11 4.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.36 8.65 59.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.61 169.17 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.16 119.19 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.655 HG22 ' H ' ' A' ' 74' ' ' HIS . 3.7 mt -96.81 175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.655 ' H ' HG22 ' A' ' 73' ' ' ILE . 92.0 m-70 -127.25 89.9 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 13.5 tp -82.12 152.23 26.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.6 m -150.56 156.22 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.64 105.95 14.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 47.59 -175.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.66 155.38 66.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.08 26.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.5 p 40.57 89.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.0 72.57 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.17 31.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.5 p -144.01 169.0 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 m 60.48 -93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t 43.61 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -163.76 150.85 12.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.54 106.47 1.88 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -176.9 -58.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 m -149.67 163.28 38.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.12 160.5 8.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 10' ' ' VAL . 1.9 tt -96.07 135.33 38.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' CG ' HG23 ' A' ' 21' ' ' THR . 34.8 tt0 -91.78 144.39 25.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.551 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 58.4 t -144.54 127.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.5 mp -107.02 157.01 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 75' ' ' LEU . 22.9 t -141.21 131.44 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -116.18 117.92 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 16' ' ' ASP . 55.9 p -93.16 162.31 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.27 61.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' THR . 33.2 m-20 -163.95 32.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.6 m 39.6 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -166.2 117.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.1 m -107.51 138.2 44.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 73.1 mtt180 -125.04 168.82 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.457 HG23 ' CG ' ' A' ' 9' ' ' GLU . 2.7 m -128.55 131.26 48.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -128.79 139.97 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm -112.89 104.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.6 m -126.82 163.33 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.53 123.27 9.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.19 -41.16 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' MET . 46.3 mt-30 -55.45 -42.42 74.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.0 ttm -36.95 145.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 4.0 p-10 -99.0 156.74 16.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 63' ' ' LEU . 73.2 t -45.42 -53.85 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.64 -62.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -46.37 -57.27 4.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.6 ' HD2' HD11 ' A' ' 50' ' ' LEU . 51.7 t80 -44.82 -44.25 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 25.1 mttt -58.05 -44.66 87.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.38 -32.1 71.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.01 -57.1 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.805 ' O ' HG22 ' A' ' 41' ' ' VAL . 18.8 pt -68.95 -33.96 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.6 -31.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -67.41 -58.3 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -63.67 -63.48 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 37' ' ' ILE . 31.6 m -52.72 -30.82 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.53 24.07 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.776 ' H ' HG23 ' A' ' 41' ' ' VAL . 53.0 mt -121.38 141.53 33.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.01 143.56 29.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' GLN . 55.9 p -50.97 -55.43 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.004 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -48.74 -23.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -96.36 -28.47 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 55.7 mt-30 -74.36 162.42 28.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.5 ttt180 -166.08 82.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.766 ' CB ' HD12 ' A' ' 57' ' ' LEU . 31.5 mt -59.47 138.32 57.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.3 mt -137.77 128.37 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 48.0 t80 -130.48 121.5 25.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 1.9 tm0? 84.78 -39.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.24 -21.39 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.21 152.59 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.9 p -83.53 146.05 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 50' ' ' LEU . 13.1 mt -86.33 130.02 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.65 121.95 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -40.22 63.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.84 -33.62 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -66.16 170.95 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.93 156.47 28.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.762 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.85 -59.4 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -41.08 -50.08 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.79 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.697 ' CE1' HD23 ' A' ' 57' ' ' LEU . 65.9 m-85 -68.23 -29.82 68.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 8.3 t-20 81.69 46.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.58 33.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.11 113.32 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.11 4.53 56.11 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.07 167.62 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -106.86 112.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 10' ' ' VAL . 8.1 mt -93.64 168.62 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' HG22 ' A' ' 73' ' ' ILE . 80.8 m-70 -120.93 99.38 6.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 HD23 ' A' ' 50' ' ' LEU . 26.2 tp -88.1 148.76 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 28.7 m -130.81 148.77 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HB2' HD13 ' A' ' 43' ' ' ILE . 5.4 tt0 -125.26 120.82 32.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -48.18 143.53 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.96 154.38 49.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.235 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 71.91 4.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 t -90.93 -55.72 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.35 97.37 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -131.36 161.05 33.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -60.47 103.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.34 122.87 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.79 109.23 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.53 -125.11 8.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p 47.88 94.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -53.48 133.33 40.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.26 169.07 37.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.3 tt -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 27.5 tt0 -90.61 143.76 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.5 ' CG2' HD23 ' A' ' 8' ' ' LEU . 44.3 t -144.76 131.84 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.8 mp -106.62 169.17 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.0 t -157.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -110.16 115.55 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -82.16 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -72.83 59.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -173.28 34.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.3 p 39.19 68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -144.42 100.14 3.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.424 ' CG2' HD23 ' A' ' 11' ' ' LEU . 21.5 m -94.62 140.86 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -137.44 119.91 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.55 137.82 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 10' ' ' VAL . 57.8 m-85 -133.33 138.43 46.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mm -112.28 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.7 m -126.38 163.35 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.98 122.94 9.31 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.59 -43.37 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.794 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' MET . 41.1 mt-30 -52.58 -45.13 66.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' GLY . 50.7 ttm -37.8 149.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.2 p-10 -101.1 168.33 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.63 HG12 ' HE3' ' A' ' 34' ' ' LYS . 17.8 t -56.28 -59.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -43.25 -57.29 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' GLU . 8.5 mt-10 -51.01 -59.22 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 24' ' ' VAL . 45.6 t80 -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.2 mttt -60.28 -43.26 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLU . 24.3 mt-10 -66.48 -31.39 72.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -71.01 -58.06 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.635 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.59 HD11 ' OE1' ' A' ' 48' ' ' GLN . 8.0 pt -67.99 -27.88 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.4 -29.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.06 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 m -56.84 -58.79 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.875 HG23 ' H ' ' A' ' 43' ' ' ILE . 31.7 m -62.0 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 71.12 16.04 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.875 ' H ' HG23 ' A' ' 41' ' ' VAL . 92.2 mt -112.63 140.39 23.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.98 148.09 34.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.8 p -55.82 -25.18 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.51 -14.52 62.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HE2' ' CD ' ' A' ' 44' ' ' PRO . 41.5 mtmt -110.35 -25.93 9.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.59 ' OE1' HD11 ' A' ' 37' ' ' ILE . 44.8 mt-30 -70.82 156.8 39.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.608 ' HD3' HD11 ' A' ' 51' ' ' ILE . 43.1 ttt180 -161.88 74.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HB3' HD12 ' A' ' 57' ' ' LEU . 50.9 mt -52.71 131.33 34.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.608 HD11 ' HD3' ' A' ' 49' ' ' ARG . 25.8 mt -136.79 126.46 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -117.55 121.56 41.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.34 -64.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.55 34.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.65 144.98 39.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.0 p -84.22 108.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD23 ' CE1' ' A' ' 66' ' ' TYR . 8.3 mt -57.68 117.2 3.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.7 163.65 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -59.13 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -27.69 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.51 165.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -120.98 155.04 35.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.73 -59.59 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ASN . 13.4 tt0 -42.12 -51.94 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.85 -55.19 3.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.631 ' CE1' HD23 ' A' ' 57' ' ' LEU . 47.2 m-85 -66.6 -26.27 67.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.8 OUTLIER 77.26 42.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.668 HG12 ' CE2' ' A' ' 52' ' ' TYR . 31.6 m -88.96 14.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.69 116.03 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.15 9.56 48.65 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -89.81 176.09 6.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -114.45 117.63 56.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.0 mt -97.78 174.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.63 ' H ' HG22 ' A' ' 73' ' ' ILE . 89.4 m-70 -128.36 92.83 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 76' ' ' VAL . 3.0 tp -83.04 152.97 25.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 ' H ' HD12 ' A' ' 75' ' ' LEU . 28.1 m -142.57 142.91 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' HB2' HD13 ' A' ' 43' ' ' ILE . 4.3 tt0 -113.75 133.8 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 131.17 43.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.25 118.13 62.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 70.0 5.44 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.6 155.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.88 -79.99 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 66.41 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.61 161.1 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -43.57 141.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -152.37 -57.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.72 153.01 43.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 -156.89 8.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.64 113.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.63 80.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.15 177.43 20.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 10' ' ' VAL . 2.5 tt -97.98 133.79 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.487 ' CG ' HG23 ' A' ' 21' ' ' THR . 37.9 tt0 -90.42 144.6 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 46.8 t -145.73 128.1 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.5 mp -103.07 169.2 8.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' LEU . 55.7 t -157.27 114.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -104.44 117.44 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -81.94 176.74 9.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.786 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.8 56.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.43 35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.9 t 39.62 72.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -145.72 79.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 72.5 m -78.83 138.93 38.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -134.09 119.58 19.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -78.8 135.21 37.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' VAL . 53.4 m-85 -131.86 140.56 49.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 mm -114.78 104.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.2 m -125.65 163.42 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -71.22 122.95 10.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.81 -39.03 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' MET . 9.7 mt-30 -56.46 -44.27 80.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 52.7 ttm -37.54 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 2.1 p-10 -104.46 175.26 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.541 ' HA ' HD11 ' A' ' 63' ' ' LEU . 4.0 t -62.7 -56.07 19.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -58.29 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.0 mt-10 -48.66 -57.29 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 44.5 t80 -44.82 -39.21 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 11.2 mttp -65.76 -38.9 90.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' GLU . 31.7 mt-10 -68.31 -33.34 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -68.78 -58.18 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.567 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 41' ' ' VAL . 17.5 pt -68.38 -28.72 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.32 -31.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -65.22 -58.97 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -63.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.789 HG23 ' H ' ' A' ' 43' ' ' ILE . 30.6 m -55.06 -30.59 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m 71.71 20.69 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.789 ' H ' HG23 ' A' ' 41' ' ' VAL . 41.5 mt -117.34 141.02 28.01 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.97 143.96 29.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 p -51.42 -48.63 62.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.95 -18.85 5.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -102.23 -23.91 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 34' ' ' LYS . 41.4 mt-30 -78.08 158.3 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' HG23 ' A' ' 56' ' ' VAL . 36.8 ttt180 -159.73 79.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CB ' HD12 ' A' ' 57' ' ' LEU . 34.4 mt -59.75 141.97 54.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -139.46 128.28 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 53' ' ' GLN . 59.1 t80 -128.89 120.83 26.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 52' ' ' TYR . 2.7 mm100 83.5 -37.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 152.28 -19.75 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.6 139.66 31.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' ARG . 5.8 p -66.8 152.45 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 50' ' ' LEU . 16.8 mt -95.32 117.45 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -63.33 134.19 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -59.91 4.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.52 -41.88 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 167.6 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -120.37 153.25 36.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.29 -60.66 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASN . 11.6 tt0 -41.91 -52.65 4.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.01 -49.85 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CE1' HD23 ' A' ' 57' ' ' LEU . 43.2 m-85 -70.35 -29.34 65.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 0.2 OUTLIER 81.55 40.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.65 15.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 115.22 7.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.21 6.13 51.96 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -87.63 167.37 13.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.57 110.67 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' H ' ' A' ' 74' ' ' HIS . 6.4 mt -89.88 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.539 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.5 m-70 -121.53 95.42 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 76' ' ' VAL . 19.2 tp -82.51 150.5 26.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.619 ' H ' HD12 ' A' ' 75' ' ' LEU . 18.8 m -142.22 147.26 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -118.55 122.26 42.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -48.15 140.46 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.05 155.39 55.21 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.76 5.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.51 79.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.71 157.29 20.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 85' ' ' SER . 18.2 Cg_endo -74.97 -27.93 9.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t 49.09 -93.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.964 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 83' ' ' PRO . 6.0 t -110.13 -58.87 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.34 78.92 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t 61.63 123.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.74 92.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -170.26 109.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -45.78 166.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.01 166.25 15.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 tt -96.51 131.26 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' CG ' HG23 ' A' ' 21' ' ' THR . 54.0 tt0 -93.75 148.2 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.566 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 47.5 t -146.46 130.4 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 11' ' ' LEU . 5.6 mp -104.31 169.26 8.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.64 HG13 ' HB3' ' A' ' 75' ' ' LEU . 37.3 t -154.9 118.3 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.88 144.43 32.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.1 p -127.09 -175.45 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 15' ' ' LEU . 1.7 mm? -56.14 -50.48 71.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -29.12 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 76.15 60.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -120.19 60.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.9 m -38.83 124.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -124.49 121.07 33.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.499 HG23 ' CG ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -80.72 136.68 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 59.3 m-85 -131.4 138.56 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -109.93 105.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 33' ' ' PHE . 27.9 m -130.5 163.45 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -68.74 124.68 18.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . . . -49.07 -25.44 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.43 -36.2 63.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' GLY . 51.6 ttm -38.91 150.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 3.6 p-10 -101.63 158.07 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 61' ' ' LYS . 85.5 t -45.7 -53.72 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' CB ' ' HG3' ' A' ' 28' ' ' MET . 33.0 mt-10 -45.79 -55.42 6.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' CG1' ' A' ' 10' ' ' VAL . 54.7 t80 -49.22 -42.18 39.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 23.8 mttt -61.05 -46.07 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.16 -32.54 73.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 83.7 t60 -66.58 -58.0 6.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.791 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.4 pt -69.5 -30.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -40.65 -35.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -58.29 -62.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' ILE . 30.5 m -58.82 -21.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER 62.95 25.83 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.706 HG23 ' HD2' ' A' ' 44' ' ' PRO . 85.7 mt -120.43 142.42 33.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 143.73 29.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' LYS . 10.5 p -53.12 -45.67 68.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.03 -17.29 16.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 15.6 mtpt -102.77 -20.53 14.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.779 ' OE1' HD11 ' A' ' 37' ' ' ILE . 68.6 mt-30 -79.41 155.84 28.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 56' ' ' VAL . 37.0 ttt180 -155.58 84.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.65 ' CB ' HD12 ' A' ' 57' ' ' LEU . 19.8 mt -67.43 135.33 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.8 mt -137.13 128.59 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 53' ' ' GLN . 52.1 t80 -126.21 122.05 34.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 52' ' ' TYR . 2.0 tm0? 81.38 -43.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.58 -26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 150.84 22.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 49' ' ' ARG . 9.8 p -82.59 156.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' CB ' ' A' ' 50' ' ' LEU . 19.3 mt -98.73 124.51 43.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -67.95 122.84 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -52.5 -22.19 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -82.68 -34.88 27.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -65.86 171.11 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.17 156.34 25.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.35 -59.38 5.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -44.05 -45.12 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -27.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 57' ' ' LEU . 52.5 m-85 -101.38 -23.82 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 16.8 t30 76.36 49.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 17.0 m -92.83 31.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.66 117.84 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.84 8.19 46.82 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -90.05 167.47 12.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.8 t -108.6 109.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 74' ' ' HIS . 7.4 mt -88.36 170.17 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.511 ' H ' HG22 ' A' ' 73' ' ' ILE . 83.8 m-70 -121.06 96.69 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 12' ' ' VAL . 5.3 tp -90.42 153.22 20.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.32 144.36 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -116.36 129.21 56.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.235 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -41.15 144.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.5 154.41 78.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 79.51 2.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.6 t -153.22 135.06 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.04 157.3 33.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.81 19.63 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -58.7 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.7 m 57.49 165.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.016 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -172.74 -58.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -88.64 169.49 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.5 139.71 5.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.148 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 59.85 156.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -48.63 121.59 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.9 163.48 33.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 10' ' ' VAL . 2.2 tt -98.74 134.44 41.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' HG23 ' A' ' 21' ' ' THR . 65.6 tt0 -86.38 145.55 26.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG13 HD11 ' A' ' 73' ' ' ILE . 49.7 t -148.43 130.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 19' ' ' THR . 7.1 mp -106.51 169.28 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' HB3' ' A' ' 75' ' ' LEU . 59.8 t -156.05 117.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.18 109.88 20.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.9 p -77.14 -175.46 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.733 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -83.24 55.7 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.6 t0 -168.66 34.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ASP . 50.3 m 39.17 66.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -138.14 97.43 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.523 ' CG2' HD23 ' A' ' 11' ' ' LEU . 90.5 m -91.23 134.07 34.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -134.41 118.66 17.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.3 m -79.24 141.94 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' VAL . 69.2 m-85 -137.72 136.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' GLU . 10.1 mm -112.16 104.26 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG21 ' CD1' ' A' ' 33' ' ' PHE . 35.6 m -127.19 163.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -67.46 121.36 15.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.1 -45.67 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' MET . 37.2 mm-40 -50.71 -44.51 58.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' GLY . 48.9 ttm -36.18 149.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.0 p-10 -99.77 168.8 9.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.555 ' HA ' HD11 ' A' ' 63' ' ' LEU . 15.9 t -55.69 -55.5 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -46.53 -62.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 28.1 mt-10 -44.54 -59.13 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.62 ' CD1' HG21 ' A' ' 24' ' ' VAL . 56.0 t80 -44.13 -42.81 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 19.6 mttt -61.9 -45.93 91.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.4 mt-10 -60.71 -33.66 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.06 -61.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.635 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 41' ' ' VAL . 8.9 pt -63.34 -23.73 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -46.55 -25.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -71.93 -58.01 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -59.15 -62.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' H ' ' A' ' 43' ' ' ILE . 34.0 m -58.14 -30.52 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.6 4.72 4.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.944 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.855 ' H ' HG23 ' A' ' 41' ' ' VAL . 81.6 mt -97.59 142.32 24.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.1 Cg_endo -75.01 143.52 29.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 p -53.18 -46.03 68.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.9 -20.38 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -100.68 -27.49 13.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 43' ' ' ILE . 42.0 mt-30 -76.21 161.42 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 21.1 ttm105 -163.27 89.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' CB ' HD12 ' A' ' 57' ' ' LEU . 30.5 mt -62.05 126.86 28.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 56' ' ' VAL . 19.9 mt -132.12 126.2 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.609 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.6 t80 -117.01 121.18 40.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 71.46 -63.49 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.6 34.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.83 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 51' ' ' ILE . 22.8 t -73.17 103.04 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.843 HD23 ' CE1' ' A' ' 66' ' ' TYR . 7.8 mt -52.51 121.48 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' O ' HG11 ' A' ' 30' ' ' VAL . 9.5 mp0 -61.04 167.89 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 -53.4 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -24.74 47.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 167.25 20.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.16 157.27 30.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.789 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -57.67 -57.19 13.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -43.36 -48.8 7.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -51.86 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.843 ' CE1' HD23 ' A' ' 57' ' ' LEU . 55.7 m-85 -70.59 -31.56 68.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 5.0 t-20 81.92 45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.609 HG12 ' CE2' ' A' ' 52' ' ' TYR . 19.9 m -92.84 31.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.73 110.03 3.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.34 1.36 60.46 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.86 173.18 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.23 120.14 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.654 HG22 ' H ' ' A' ' 74' ' ' HIS . 4.3 mt -97.79 175.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.654 ' H ' HG22 ' A' ' 73' ' ' ILE . 87.8 m-70 -130.61 94.67 3.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HB3' HG13 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -86.08 148.08 25.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.9 m -132.02 145.04 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.616 ' HG3' HD13 ' A' ' 43' ' ' ILE . 2.0 tt0 -111.3 124.22 51.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -52.47 153.56 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.32 153.78 43.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.08 7.62 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -133.98 91.54 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.39 -153.06 24.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.98 109.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -66.96 150.07 49.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.12 -58.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.965 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -81.36 166.82 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.976 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.54 118.86 6.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.22 158.42 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -64.93 -56.02 15.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 155.27 0.12 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 10' ' ' VAL . 3.1 tt -88.67 132.29 34.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' HG23 ' A' ' 21' ' ' THR . 29.5 tt0 -91.53 146.36 23.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 73' ' ' ILE . 45.1 t -144.53 130.54 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.6 mp -106.56 155.72 19.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 75' ' ' LEU . 55.7 t -137.76 132.73 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -115.91 134.56 54.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.3 p -113.76 168.44 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.52 60.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.8 t0 -169.87 33.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ASP . 69.8 m 38.58 55.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -128.87 110.77 12.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.4 m -109.98 127.95 55.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 45.3 mtt180 -120.91 171.93 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 HG23 ' CG ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -126.82 136.47 52.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.462 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' GLU . 54.9 m-85 -132.8 139.51 47.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mm -112.8 104.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 33' ' ' PHE . 28.0 m -127.02 163.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' MET . . . -70.81 123.47 11.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.08 -36.59 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' MET . 1.6 mt-30 -60.54 -42.72 97.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' GLY . 53.1 ttm -37.13 148.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' OD1' ' CG ' ' A' ' 32' ' ' GLU . 3.1 p-10 -97.2 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HA ' HD11 ' A' ' 63' ' ' LEU . 8.7 t -56.78 -49.12 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . 12.4 ttpt -51.52 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 59.2 mt-10 -38.68 -53.92 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 24' ' ' VAL . 70.3 t80 -52.46 -44.74 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 24.3 mttt -57.14 -41.89 79.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -68.46 -37.3 80.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -63.03 -50.36 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.761 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.1 pt -74.29 -32.82 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . -44.24 -27.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' ILE . . . -68.5 -57.01 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 m -65.75 -63.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 37' ' ' ILE . 33.9 m -53.04 -33.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.15 29.68 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . 24.4 mt -126.61 140.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD2' HG23 ' A' ' 43' ' ' ILE . 18.6 Cg_endo -74.9 143.16 29.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -54.97 -40.03 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.52 -12.8 35.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' CG ' ' HG2' ' A' ' 44' ' ' PRO . 5.4 mtpp -110.37 -23.34 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' HD11 ' A' ' 37' ' ' ILE . 51.0 mt-30 -74.38 172.6 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' HE ' HG21 ' A' ' 56' ' ' VAL . 41.3 ttt180 -168.7 77.14 0.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 ' CB ' HD12 ' A' ' 57' ' ' LEU . 39.4 mt -58.46 131.96 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 HD11 ' HD3' ' A' ' 49' ' ' ARG . 15.8 mt -134.89 126.44 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 88.6 t80 -109.32 125.03 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 66.63 -68.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -171.33 31.9 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -139.95 137.68 34.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG21 ' HE ' ' A' ' 49' ' ' ARG . 7.6 p -70.86 149.21 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 50' ' ' LEU . 24.6 mt -99.66 124.54 44.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -71.6 131.45 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -55.69 27.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -40.72 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.52 167.68 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -118.23 159.51 23.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -61.15 -57.99 10.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -45.54 -46.25 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -46.13 -34.35 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.614 ' CD2' HD22 ' A' ' 57' ' ' LEU . 46.8 m-85 -92.04 -26.72 18.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 66' ' ' TYR . 4.3 t30 77.74 49.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.46 24.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.67 116.54 8.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.69 8.5 47.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -90.35 166.37 13.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.2 113.38 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.617 HD11 HG13 ' A' ' 10' ' ' VAL . 5.4 mt -90.69 172.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.572 ' H ' HG22 ' A' ' 73' ' ' ILE . 91.6 m-70 -126.21 96.53 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB2' HD23 ' A' ' 50' ' ' LEU . 1.5 tp -87.73 148.7 24.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.51 ' H ' HD12 ' A' ' 75' ' ' LEU . 27.5 m -141.81 144.38 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 77' ' ' GLU . 18.6 tp10 -108.69 125.06 51.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.75 158.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.65 105.53 38.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 87.28 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 t 45.09 85.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.98 132.37 1.47 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.81 6.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 t -160.18 89.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.54 -59.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.078 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 stop_ save_