data_1v86_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 1v86 _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 ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.27 151.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 3.4 p -93.13 141.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.4 ' N ' HG21 ' A' ' 18' ' ' VAL . 3.6 m-20 -80.85 128.63 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.3 mt -131.43 149.56 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 118.57 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' CG1' HG21 ' A' ' 31' ' ' VAL . 7.0 mm -83.46 87.99 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 mm -82.13 125.61 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.3 t90 -161.89 113.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.18 -68.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -116.93 155.78 28.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -136.72 102.02 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -108.56 119.16 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -82.72 108.56 16.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG21 ' CG1' ' A' ' 22' ' ' ILE . 15.9 m -120.31 140.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 pttt -105.43 111.35 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 1.4 m -127.15 152.81 76.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.63 33.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD12 ' CG1' ' A' ' 18' ' ' VAL . 4.3 tp -71.49 -13.74 61.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -4.63 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 126.11 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.4 p -71.4 144.45 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.59 -23.34 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.8 t -79.91 -35.67 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.7 mt-10 -60.5 -38.53 84.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.9 mt -40.4 -50.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -47.8 -58.64 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.62 -19.64 65.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 tptt -78.92 -30.88 44.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt -88.12 -44.88 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -32.1 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -16.32 62.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.505 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 17.4 p -52.87 -34.31 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.81 -1.38 62.78 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -91.76 167.21 15.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 149.11 36.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.89 4.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.71 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.12 30.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.463 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.7 mt-30 -111.25 157.29 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -129.08 91.96 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.46 ' CG2' ' HE3' ' A' ' 43' ' ' LYS . 2.5 t -88.42 103.84 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtp -149.96 121.33 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 4.3 t80 -126.96 100.94 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 7.5 mtpt 48.06 24.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.79 157.53 8.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 142.96 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.95 114.28 60.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.03 27.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.65 -14.31 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -12.6 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -126.61 144.1 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 17.2 p -81.64 169.13 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -49.45 -55.42 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -20.76 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -96.31 -39.57 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -70.69 -8.57 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 84.62 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.48 151.79 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.4 p -143.44 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 23.2 t -68.04 105.25 1.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.43 20.08 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.22 21.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.0 mm -136.79 109.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.13 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.8 t -131.66 155.6 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 11.5 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -40.55 147.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 3.1 p -91.83 150.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.86 131.08 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 mt -144.69 149.6 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -101.52 128.97 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 31' ' ' VAL . 4.3 mm -91.82 86.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -79.4 132.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.4 t90 -170.1 115.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 68.52 -72.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -176.69 36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.62 160.75 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -135.85 103.12 5.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' CG1' ' A' ' 22' ' ' ILE . 94.7 m-70 -105.54 105.83 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 119.95 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 22' ' ' ILE . 15.5 m -136.08 140.05 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.8 pttt -104.34 114.82 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 4.7 m -128.36 151.64 76.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.85 42.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.4 tp -79.93 -2.71 44.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.89 127.83 22.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.3 p -70.78 143.16 51.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.33 -30.11 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 t -77.9 -48.72 15.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 0.812 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 mt-10 -41.68 -36.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 71' ' ' LEU . 2.7 mt -40.4 -46.62 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD2' ' CB ' ' A' ' 54' ' ' PRO . 27.8 mmtt -47.46 -67.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.01 -19.34 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -29.87 44.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' THR . 2.8 mt -89.92 -46.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -55.77 -22.71 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -77.4 -16.13 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.1 mt -114.39 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.541 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.8 p -57.87 -31.33 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.5 5.26 55.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -93.73 167.56 13.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -74.99 -30.85 6.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.57 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.2 34.23 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CG ' HD23 ' A' ' 52' ' ' LEU . 6.4 mt-30 -110.91 155.74 22.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 91.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.55 98.85 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.9 mtp -150.19 120.81 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.9 OUTLIER -127.11 101.31 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.62 25.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.95 153.53 6.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.62 140.71 34.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -108.43 114.15 59.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.92 -6.67 34.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -10.85 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.55 157.43 35.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' ILE . 62.8 p -86.43 165.59 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 42' ' ' LEU . 8.6 mt -51.0 -55.05 19.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -55.95 -19.36 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.23 -40.39 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -73.52 -4.93 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 84.59 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.4 t -126.48 149.04 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 p -137.36 178.24 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 24.7 p -81.56 103.92 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.65 19.13 5.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 179.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -123.77 146.64 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.7 mm -138.0 118.49 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 141.38 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.84 152.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -40.27 153.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' HD11 ' A' ' 35' ' ' LEU . 3.1 p -88.58 141.78 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.27 123.07 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 33' ' ' VAL . 73.5 mt -130.66 142.79 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.34 120.45 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' CG1' HG23 ' A' ' 31' ' ' VAL . 4.3 mm -80.8 89.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.424 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 24.8 mm -81.64 122.32 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.0 t90 -155.94 106.41 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.43 -66.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -175.35 38.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -113.83 156.05 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.06 96.3 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -105.73 108.72 20.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 110.85 7.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 22' ' ' ILE . 16.3 m -123.15 141.22 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 15.7 pttt -103.81 111.82 24.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 20' ' ' LEU . 4.2 m -130.58 150.76 77.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.95 34.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.1 tp -90.3 17.26 7.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.96 -8.91 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -66.14 123.53 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLU . 72.3 p -71.63 144.13 49.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.63 -25.34 2.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.2 t -79.78 -37.29 35.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.4 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 1.9 mt -41.43 -47.02 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -44.58 -66.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -23.32 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -29.25 60.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -92.22 -49.24 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -53.04 -39.22 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -18.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.6 mt -113.64 -60.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.459 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.7 p -55.33 -32.56 62.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.9 52.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -94.45 167.36 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.62 34.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.12 6.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.58 67.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.9 mmm -109.0 35.35 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.463 ' CG ' HD23 ' A' ' 52' ' ' LEU . 4.5 mt-30 -109.4 154.69 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 91.89 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.15 99.92 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.8 mtp -150.08 120.9 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.6 t80 -127.08 100.94 6.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt 46.29 26.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.33 154.44 6.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -54.02 141.16 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 t -110.88 114.99 53.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -85.63 -20.62 29.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -15.59 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 22.4 p -74.28 169.43 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.5 mt -50.67 -61.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -26.63 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.02 -39.69 16.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.479 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -75.62 -2.9 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 82.82 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.53 150.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.45 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 21.5 p -152.23 -168.15 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.419 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.443 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -80.14 109.01 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.57 23.58 4.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -91.22 118.82 30.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -72.69 153.12 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.01 104.45 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.13 132.15 36.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.54 151.02 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -55.91 150.28 13.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 8.6 p -89.57 153.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.19 110.33 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 12.2 mt -110.37 150.53 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.63 111.28 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG1' HG22 ' A' ' 31' ' ' VAL . 3.8 mm -75.41 87.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.23 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 10.6 t90 -171.71 108.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 -70.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.43 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.72 146.71 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -126.58 110.3 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -112.9 106.3 14.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.61 112.6 6.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 22' ' ' ILE . 16.0 m -123.9 140.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.34 114.87 29.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' A' ' 20' ' ' LEU . 3.5 m -134.16 151.89 77.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.48 35.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 18' ' ' VAL . 4.4 tp -75.12 -12.86 60.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -12.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 139.64 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 p -83.08 141.77 31.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.46 -26.05 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 38' ' ' THR . 6.4 t -77.66 -43.54 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.1 mt-10 -54.31 -35.53 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.6 mt -42.06 -48.67 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' CE ' HG23 ' A' ' 59' ' ' VAL . 24.3 mmtp -46.7 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.21 -19.36 44.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -30.42 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 50' ' ' THR . 2.5 mt -91.86 -44.6 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -26.94 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -12.6 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.5 mt -114.3 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.537 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 28.6 p -51.66 -35.31 41.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.77 -10.01 57.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -88.42 168.34 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.11 34.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.64 8.02 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.66 -32.99 69.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mtt -104.21 29.67 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.461 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.5 mt-30 -109.09 158.73 17.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.55 91.84 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' CE ' ' A' ' 43' ' ' LYS . 8.8 t -84.8 103.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.9 mtp -150.23 120.77 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.21 101.38 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.22 25.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.36 155.41 6.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.73 140.92 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.85 111.79 65.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.51 -15.66 51.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -9.88 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -129.24 145.7 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 61.7 p -76.84 165.68 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -50.29 -58.37 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -20.59 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -93.49 -34.33 13.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -79.95 0.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 tttp 84.09 70.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 77' ' ' THR . 78.1 t -128.67 145.9 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 40.2 p -155.12 -172.4 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.48 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -68.95 109.61 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.23 24.13 4.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -84.28 163.66 19.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 0.727 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 154.22 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 mm -137.94 115.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.08 134.89 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 t -128.72 158.75 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 18.0 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CB ' ' HG3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -40.35 147.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 2.6 p -89.35 140.94 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 127.11 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 HD13 ' CG2' ' A' ' 33' ' ' VAL . 84.9 mt -139.98 153.95 47.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -114.65 121.6 43.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.479 ' CG1' HG23 ' A' ' 31' ' ' VAL . 8.1 mm -85.58 88.58 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ILE . 22.2 mm -71.97 125.3 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 13.6 t90 -160.77 129.44 4.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.08 -77.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -174.61 47.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 170.88 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -136.43 97.96 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.403 ' CE1' ' HG1' ' A' ' 27' ' ' THR . 24.2 m-70 -84.63 105.88 15.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.19 109.51 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG23 ' CG1' ' A' ' 22' ' ' ILE . 9.3 m -130.22 142.18 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG3' ' CB ' ' A' ' 17' ' ' LEU . 8.7 pttt -105.91 121.52 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 5.0 m -135.24 150.48 72.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.58 42.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 18' ' ' VAL . 2.9 tp -80.38 -17.39 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.82 -16.49 62.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.6 134.18 56.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -74.15 146.27 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.06 -21.32 3.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -79.36 -42.37 25.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.8 mt-10 -53.2 -32.51 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 71' ' ' LEU . 7.2 mt -44.65 -49.09 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 13.1 mptt -47.27 -60.0 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.46 -18.76 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -78.81 -28.64 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' A' ' 50' ' ' THR . 3.3 mt -89.63 -44.7 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.51 -27.47 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -14.04 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.08 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.565 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 41.1 p -54.4 -33.69 59.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.81 -32.6 4.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -68.95 168.24 16.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 149.64 36.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.72 8.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.92 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mtm -104.56 31.93 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' CG ' HD22 ' A' ' 52' ' ' LEU . 5.5 mt-30 -111.6 166.95 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.6 mttp -129.33 96.72 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG22 ' CD ' ' A' ' 43' ' ' LYS . 2.8 t -90.37 100.74 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mtp -150.13 120.79 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 t80 -127.13 100.7 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 61' ' ' TYR . 14.3 ptpt 45.59 26.54 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.13 154.09 6.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -54.12 141.16 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.361 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.2 t -109.19 114.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.53 32.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -90.73 -31.84 16.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.59 -25.94 67.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -107.77 146.37 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' ILE . 60.8 p -85.34 168.07 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD2' HD13 ' A' ' 42' ' ' LEU . 2.0 mt -48.13 -57.16 6.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -19.45 5.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 70' ' ' THR . 46.0 mt-10 -95.63 -31.13 13.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.24 1.57 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 76.04 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 t -119.65 152.38 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.3 p -136.29 -175.76 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.475 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 7.2 t -86.67 104.15 15.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.44 23.93 4.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.68 179.42 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.7 152.0 48.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ILE . 8.7 mm -136.91 106.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.99 105.02 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.71 160.96 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 2.0 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD11 ' CA ' ' A' ' 34' ' ' PRO . 1.1 mm? -42.71 150.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 35' ' ' LEU . 4.4 p -89.37 142.79 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.63 122.35 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -122.7 139.28 54.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.88 117.21 30.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG1' HG23 ' A' ' 31' ' ' VAL . 5.4 mm -83.81 85.22 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.0 127.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CH2' HD22 ' A' ' 52' ' ' LEU . 9.5 t90 -162.77 106.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.04 -67.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 2.2 p -123.88 144.8 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 21' ' ' LYS . 1.1 ttpp -128.13 101.79 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 29' ' ' HIS . 6.7 m170 -97.19 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.572 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 102.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 22' ' ' ILE . 16.4 m -117.22 140.08 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.5 pttt -107.27 114.23 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 1.5 m -130.7 152.71 80.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.462 ' CA ' HD11 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.1 154.37 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' CG1' ' A' ' 18' ' ' VAL . 4.4 tp -79.11 -15.86 57.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -23.39 62.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 148.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.4 p -89.3 140.81 29.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.15 -28.53 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 18.3 t -75.18 -49.04 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.7 mt-10 -41.63 -41.17 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -39.79 -55.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CE ' HG22 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -42.35 -67.06 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -21.3 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.9 -28.84 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.7 mt -93.39 -46.02 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -28.15 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -72.23 -12.56 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 ' CD1' HG13 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -114.22 -60.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.469 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 36.8 p -54.78 -33.94 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.96 -26.69 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -70.63 167.17 29.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 146.07 32.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.43 8.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.27 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -26.2 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.67 157.58 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -129.02 94.49 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CE ' ' A' ' 43' ' ' LYS . 6.8 t -77.9 108.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.5 mtp -150.18 120.87 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -127.13 101.53 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt 48.93 24.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.96 155.02 6.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.95 142.37 24.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.2 t -105.27 107.71 59.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.75 22.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -83.48 -23.89 32.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.58 -9.92 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -129.63 136.84 50.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 27.5 p -73.49 169.79 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.3 mt -52.76 -58.41 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -53.94 -19.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -93.33 -33.61 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -82.98 4.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 77.14 75.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 77' ' ' THR . 25.5 t -129.99 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 13.0 p -154.53 -169.06 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 54.6 p -76.66 109.13 10.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.2 7.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.69 118.94 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -69.18 144.86 53.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mm -138.3 113.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 142.85 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.408 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 38.4 t -122.28 133.56 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -41.11 152.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 2.8 p -84.44 138.76 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.8 m-20 -78.36 115.35 18.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.6 mt -127.04 145.38 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -107.15 114.96 29.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' HG21 ' A' ' 31' ' ' VAL . 2.7 mm -76.99 91.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 9.9 mm -79.37 142.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -176.04 120.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.76 -73.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 40.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.49 165.3 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 104.78 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -108.68 117.53 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.629 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -74.93 124.35 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 22' ' ' ILE . 14.0 m -139.23 139.8 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 12.8 pttt -111.41 112.13 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 1.5 m -127.45 152.81 77.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.92 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' CG1' ' A' ' 18' ' ' VAL . 2.7 tp -80.33 -3.59 50.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -4.13 58.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 138.44 53.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 149.2 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.73 -28.74 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LYS . 7.5 t -81.66 -46.83 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.83 -34.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.9 mt -47.02 -45.73 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' SER . 22.2 mmtp -46.31 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -58.5 -22.83 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -75.9 -32.43 59.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.8 mt -90.15 -46.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -34.98 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -17.78 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.7 mt -113.3 -60.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.435 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 18.2 p -54.72 -33.19 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.25 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -93.18 167.47 14.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.83 35.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.8 5.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.47 66.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.99 31.21 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' CG ' HD22 ' A' ' 52' ' ' LEU . 7.4 mt-30 -112.27 151.49 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 91.74 3.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.62 103.03 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mtp -150.08 120.85 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -127.14 104.44 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.6 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 149.87 163.54 11.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 140.94 56.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.7 t -108.88 111.35 60.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.14 2.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.81 -20.55 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.84 -14.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -123.32 145.55 48.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' ILE . 75.8 p -77.42 163.37 26.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 42' ' ' LEU . 4.3 mt -49.6 -55.53 13.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.18 -19.85 8.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -94.5 -33.19 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -78.67 0.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 78.05 75.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 t -117.97 154.62 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 p -141.41 -173.62 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.411 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -84.73 105.95 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.75 24.06 4.12 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.66 119.83 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -70.54 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 mm -137.26 106.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.84 135.04 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 37.5 t -128.36 155.83 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -42.43 156.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 7.1 p -87.67 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.86 135.36 33.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 28.2 mt -142.32 146.2 34.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.74 115.76 31.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CG1' HG22 ' A' ' 31' ' ' VAL . 3.9 mm -79.5 89.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 19.8 mm -79.55 121.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CH2' HD22 ' A' ' 52' ' ' LEU . 11.3 t90 -152.34 103.04 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.47 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' TRP . 3.7 pttt -171.23 44.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -122.07 157.03 32.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -138.15 99.23 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -105.12 105.93 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.09 106.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 HG22 ' CG1' ' A' ' 22' ' ' ILE . 16.1 m -119.39 140.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -108.2 111.45 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 3.3 m -130.23 152.46 80.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.35 32.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD12 ' CG1' ' A' ' 18' ' ' VAL . 3.8 tp -73.02 -16.07 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -12.21 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.3 m -63.42 141.32 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.9 p -82.03 144.91 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -44.95 -25.14 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -76.29 -43.6 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -51.64 -39.27 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.4 mt -40.94 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' CD ' HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -43.38 -67.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.21 -20.98 63.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -77.02 -28.54 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.6 mt -92.59 -45.63 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -11.6 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.13 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.468 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 35.9 p -55.86 -33.04 64.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.75 -30.67 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -68.98 167.4 20.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -75.02 -28.91 8.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.14 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 56' ' ' MET . 9.8 tpp -94.29 -34.25 12.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 15.2 mt-30 -60.49 163.57 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -129.07 95.23 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG23 ' CD ' ' A' ' 43' ' ' LYS . 21.4 t -77.67 102.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.7 mtp -150.06 120.68 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.27 99.96 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 50.13 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.09 151.08 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -53.91 142.13 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.57 112.28 65.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.11 16.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -81.33 -19.88 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.79 -6.18 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -132.45 138.33 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 21.1 p -75.07 168.68 19.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 42' ' ' LEU . 5.2 mt -51.08 -60.02 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.64 -41.65 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -69.27 -8.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 tmtm? 86.57 89.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -137.73 151.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -134.28 179.74 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.467 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 21.8 t -82.2 103.62 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.6 24.12 4.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 20' ' ' LEU . . . -72.5 179.69 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -125.17 152.72 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.7 mm -138.01 112.27 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.27 132.75 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 24' ' ' TRP . 90.9 t -119.39 141.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -43.82 150.3 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 4.4 p -88.06 149.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.39 121.12 28.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 33' ' ' VAL . 33.1 mt -125.35 139.08 53.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 107.31 19.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG1' HG22 ' A' ' 31' ' ' VAL . 14.0 mm -72.07 82.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' ILE . 3.1 mm -74.22 123.47 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.3 t90 -152.59 110.73 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.7 -77.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.76 29.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 13.0 p -112.02 157.84 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -138.1 99.65 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -98.65 117.73 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.632 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 110.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG22 ' CG1' ' A' ' 22' ' ' ILE . 11.2 m -130.56 142.07 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -109.11 123.17 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.9 m -137.68 152.75 73.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 30.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 76' ' ' VAL . 4.6 tp -68.22 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.72 -18.0 61.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 73.7 m -54.57 128.65 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' SER . 19.8 p -72.45 142.41 48.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.11 -27.05 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 38' ' ' THR . 38.1 t -75.83 -50.24 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -42.6 -38.49 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.533 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 4.2 mt -41.14 -49.31 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -44.82 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -19.93 64.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -29.97 57.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG23 ' CG2' ' A' ' 50' ' ' THR . 5.6 mt -93.25 -47.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 1.9 t-80 -55.02 -22.17 14.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.4 t -79.58 -14.03 59.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 31' ' ' VAL . 1.4 mt -114.16 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.476 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.5 p -53.32 -34.22 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.56 -8.46 58.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -87.38 168.08 18.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.78 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.62 70.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.0 31.24 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.46 ' CG ' HD23 ' A' ' 52' ' ' LEU . 8.0 mt-30 -107.78 155.95 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.13 91.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 t -85.43 103.94 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.6 mtp -150.16 120.83 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.1 t80 -127.17 103.4 7.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 47.1 25.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.1 155.17 6.82 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.79 139.06 34.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 74' ' ' ILE . 12.6 t -110.08 110.55 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.3 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.06 -9.91 58.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.83 -3.52 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -131.11 148.45 52.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.9 p -79.52 163.84 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.7 mt -54.18 -46.99 72.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -15.07 62.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.67 -40.81 8.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.9 OUTLIER -75.54 -3.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.3 mtpt 84.87 83.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 35' ' ' LEU . 54.0 t -135.04 148.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 p -149.25 -173.25 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.474 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 31.8 t -72.83 108.53 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.06 24.15 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.55 118.54 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -76.08 148.6 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' ILE . 14.5 mm -136.69 104.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 126.33 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' ILE . 40.9 t -117.49 153.3 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -40.0 151.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' C ' ' A' ' 77' ' ' THR . 3.2 p -87.2 140.31 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.74 129.82 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 70.3 mt -136.21 147.02 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -103.75 118.32 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.478 ' CG1' HG21 ' A' ' 31' ' ' VAL . 4.7 mm -80.43 85.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' CG2' ' HE3' ' A' ' 83' ' ' MET . 31.7 mm -80.62 127.37 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.473 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -161.18 104.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -64.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.167 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 43.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.85 143.68 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.0 96.12 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -103.98 108.16 19.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.58 112.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG21 ' CG1' ' A' ' 22' ' ' ILE . 16.8 m -126.9 140.55 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 11.1 pttt -105.23 111.06 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 20' ' ' LEU . 3.4 m -124.59 154.19 69.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.56 41.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD13 ' CG1' ' A' ' 18' ' ' VAL . 2.4 tp -83.75 -15.02 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -74.22 -13.93 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 149.95 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.1 p -88.42 144.49 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.46 -21.88 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -78.17 -47.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' LYS . 6.4 mt-10 -49.33 -34.58 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 4.6 mt -39.68 -50.51 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.81 -65.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.75 -16.31 60.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.6 tptp -80.35 -30.63 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG21 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -93.59 -42.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -23.9 60.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -14.53 61.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.28 -60.94 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.473 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 34.9 p -50.41 -36.83 34.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.83 52.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -83.81 168.17 23.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.41 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -33.58 4.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.73 58.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.76 30.11 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.465 ' CG ' HD21 ' A' ' 52' ' ' LEU . 8.8 mt-30 -108.96 151.92 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -124.16 91.95 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 t -85.18 105.1 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mtp -150.23 120.95 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -127.1 102.29 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.35 24.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.35 155.53 7.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -54.28 140.14 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.91 108.97 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.45 4.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -66.21 -10.23 39.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -7.15 59.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -127.31 144.54 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 73' ' ' GLU . 67.4 p -76.02 159.42 30.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 43.6 mt -48.69 -46.47 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -23.73 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 70' ' ' THR . 16.4 mm-40 -81.02 -39.83 25.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -79.06 -3.65 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 83.28 80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 77' ' ' THR . 55.1 t -127.62 145.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -139.84 -169.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.462 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -82.29 106.47 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.29 21.15 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 20' ' ' LEU . . . -79.44 119.58 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 140.91 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.5 mm -138.11 100.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.4 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 1.2 mtt -86.5 141.77 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.68 158.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 58' ' ' LYS . 7.8 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 1.3 mm? -49.92 165.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 3.3 p -97.94 144.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.8 128.64 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.1 mt -137.7 148.49 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -109.36 116.08 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' CG1' HG23 ' A' ' 31' ' ' VAL . 5.3 mm -85.82 92.14 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.36 117.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 52' ' ' LEU . 18.6 t90 -139.66 43.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 163.29 -52.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.47 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -65.88 161.65 20.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 pttt -128.75 102.5 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -84.84 106.09 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.574 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.07 109.02 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' CG1' ' A' ' 22' ' ' ILE . 1.7 m -123.34 149.9 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -108.75 122.86 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 3.1 m -142.61 151.05 56.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' CA ' HD11 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 143.42 29.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 18' ' ' VAL . 4.6 tp -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 130.71 31.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 22.0 p -74.1 141.72 45.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.8 -29.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 t -80.26 -49.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.5 mt-10 -38.91 -37.34 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 4.8 mt -40.51 -48.28 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -44.76 -67.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -57.41 -21.19 34.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -78.48 -32.77 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.8 mt -89.58 -45.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -56.27 -22.8 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.1 -16.09 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.07 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.544 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.1 p -57.64 -31.66 66.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.85 5.41 51.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.559 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.0 167.43 15.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.89 34.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.71 5.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.35 -27.98 64.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 mmt -110.03 34.13 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.473 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.9 mt-30 -109.75 154.89 22.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 6.1 tptt -126.21 91.93 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -85.33 98.64 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 mtp -150.13 120.82 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -127.14 101.4 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 48.76 24.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 154.83 6.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -53.95 140.0 32.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 74' ' ' ILE . 14.6 t -110.76 112.44 56.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.41 4.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.568 1.825 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.23 -8.04 46.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -4.27 59.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 144.49 51.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' ILE . 75.6 p -73.05 167.16 21.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.5 mt -54.53 -56.37 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HB2' ' CG ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -59.28 -16.9 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -92.21 -36.39 13.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -83.16 4.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.84 78.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 35' ' ' LEU . 47.2 t -133.51 147.92 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.4 p -146.6 -164.82 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 5.8 m -82.4 108.58 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.96 24.17 4.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 118.33 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 145.94 46.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -137.43 117.98 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -106.52 114.15 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.506 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 2.4 t -100.65 156.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 9.6 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -41.78 152.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 4.1 p -86.62 144.67 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 79' ' ' GLY . 86.3 m-20 -83.74 120.91 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD11 ' CG2' ' A' ' 33' ' ' VAL . 63.7 mt -130.95 143.22 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 115.48 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG1' ' CG2' ' A' ' 31' ' ' VAL . 2.7 mm -79.71 90.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 3.4 mm -83.38 136.75 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 11.1 t90 -167.13 111.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 108.053 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.4 -75.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.28 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -121.93 158.88 28.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -137.45 103.35 5.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -102.39 108.17 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.592 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -68.31 119.8 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.481 ' CG2' ' CG1' ' A' ' 22' ' ' ILE . 6.2 m -141.1 142.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.23 120.85 43.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 20' ' ' LEU . 4.4 m -133.99 150.54 74.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD12 ' CG1' ' A' ' 18' ' ' VAL . 3.9 tp -74.64 -19.82 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -15.64 60.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.52 139.04 54.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' GLU . 54.3 p -81.51 144.73 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.25 -28.51 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.8 t -79.55 -47.33 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.4 mt-10 -38.63 -41.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 5.2 mt -41.45 -49.71 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -46.42 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -62.3 -19.97 63.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -30.47 51.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 50' ' ' THR . 3.8 mt -92.92 -44.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -25.72 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -12.14 60.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.5 mt -114.17 -60.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.557 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 20.0 p -52.52 -34.7 51.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 -11.82 55.22 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -85.9 168.07 21.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.28 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.79 -25.92 65.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -5.89 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.407 ' CG ' HD23 ' A' ' 52' ' ' LEU . 25.5 mt-30 -79.88 151.57 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.09 91.85 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.52 108.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.21 120.2 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.4 OUTLIER -127.65 99.8 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt 45.85 26.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.01 151.82 5.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -53.9 141.07 28.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.17 114.22 65.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -62.91 -20.83 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.89 -12.42 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -126.11 147.93 49.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 74' ' ' ILE . 80.5 p -81.48 163.46 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -48.85 -55.7 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -20.32 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.55 -36.88 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -77.47 -5.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 7.3 mtpt 85.63 92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 77' ' ' THR . 69.7 t -146.6 142.98 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.43 ' N ' HG12 ' A' ' 76' ' ' VAL . 2.3 p -133.59 -173.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.47 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 p -78.73 104.09 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 114.22 23.97 4.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.68 121.09 23.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 139.93 58.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 mm -138.1 111.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 ttm -88.43 137.05 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 23' ' ' ILE . 27.3 t -117.56 142.49 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 58' ' ' LYS . 3.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -40.41 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 35' ' ' LEU . 5.3 p -91.36 149.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.84 136.2 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.2 mt -143.86 146.36 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -101.68 119.87 39.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 31' ' ' VAL . 5.4 mm -79.63 84.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.69 120.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.2 t90 -160.47 110.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.41 -63.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 6.9 mmtt 177.52 43.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.422 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 1.6 p -123.33 150.44 43.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -133.35 93.94 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' NE2' ' HB ' ' A' ' 27' ' ' THR . 7.4 m170 -99.21 112.29 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -74.14 104.12 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 22' ' ' ILE . 18.3 m -120.43 140.52 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.3 pttt -106.69 112.2 25.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.1 m -125.95 153.46 73.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.59 41.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' CG1' ' A' ' 18' ' ' VAL . 3.7 tp -76.55 -21.05 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -17.17 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 128.5 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' GLU . 71.1 p -73.76 147.67 43.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.31 -24.26 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -82.49 -40.14 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.3 mt-10 -58.18 -25.85 62.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -51.51 -45.7 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 1.7 mmtp -58.2 -45.19 88.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.06 -19.2 63.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -33.16 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.474 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.4 mt -81.81 -37.14 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.461 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.72 -25.99 67.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -12.23 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.2 mt -114.36 -60.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.496 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 25.8 p -55.33 -32.88 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.77 -30.02 6.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -68.58 168.22 15.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.49 40.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.494 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.16 9.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.9 73.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mtm -104.57 36.58 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.434 HE22 ' N ' ' A' ' 47' ' ' HIS . 6.2 mt-30 -113.74 141.02 47.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttt -115.51 92.0 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 43' ' ' LYS . 32.8 t -84.01 112.75 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 mtp -150.24 120.49 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.45 99.81 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.93 21.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.77 155.28 7.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -55.15 139.96 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.0 t -107.29 119.77 49.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.5 17.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -81.48 -31.65 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -20.57 66.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -113.61 143.24 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 14.4 p -82.58 170.27 15.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 2.0 mt -49.9 -60.42 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -49.28 -26.04 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.86 -45.74 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -67.67 -9.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 mtpm? 81.47 86.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 77' ' ' THR . 6.4 t -123.55 158.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 51.3 p -142.01 166.63 24.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 90.4 p -75.9 104.38 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.41 24.02 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.427 1.079 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.05 171.93 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.57 148.48 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.8 mm -138.15 102.56 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -86.22 128.54 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.4 t -120.09 162.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.1 p . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -39.96 153.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 5.8 p -88.12 146.29 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 m-20 -84.59 134.36 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 mt -146.1 143.91 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -101.16 112.77 25.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CG1' HG22 ' A' ' 31' ' ' VAL . 16.9 mm -74.1 82.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.438 HG13 ' CG ' ' A' ' 81' ' ' LYS . 18.3 mm -73.84 131.29 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.493 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.1 t90 -165.27 115.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.12 -75.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -171.21 40.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.97 160.62 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 101.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -103.3 112.14 24.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.82 114.01 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG22 ' CG1' ' A' ' 22' ' ' ILE . 11.3 m -133.91 141.64 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -109.54 119.43 39.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.9 m -132.06 151.92 79.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.48 36.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.9 tp -73.59 -14.82 61.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -16.61 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.29 130.76 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 53.5 p -73.14 146.46 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.76 -25.99 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -81.24 -42.21 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' LYS . 10.6 mt-10 -47.88 -36.17 11.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 3.4 mt -44.12 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' CE ' HG22 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.44 -60.44 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.14 -19.94 65.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -80.24 -30.78 38.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.0 mt -89.05 -44.36 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -29.95 63.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -67.61 -16.02 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.5 mt -114.17 -60.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.493 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 17.3 p -53.06 -34.32 55.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.61 -0.48 60.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -91.04 167.52 15.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.5 33.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.29 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.44 66.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.81 35.84 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' HD23 ' A' ' 52' ' ' LEU . 4.7 mt-30 -108.82 162.77 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.1 104.87 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 HG22 ' CE ' ' A' ' 43' ' ' LYS . 2.0 t -109.02 106.79 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -142.75 120.18 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.448 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.7 t80 -127.69 102.54 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.82 30.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 141.3 165.11 10.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -53.81 136.75 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -99.46 114.96 65.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.85 14.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.63 -26.98 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -30.93 69.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -102.33 158.28 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ILE . 72.6 p -96.47 166.75 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -45.79 -59.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -50.37 -21.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.6 mm-40 -94.66 -33.98 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.6 OUTLIER -77.22 -8.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ILE . 1.1 mmtt 80.29 92.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 77' ' ' THR . 5.8 t -130.54 163.3 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 56.6 p -133.51 168.96 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 p -85.85 100.35 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.69 24.12 4.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -76.86 176.82 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -119.18 151.68 37.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mm -137.84 102.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.97 124.3 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.93 159.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 2.3 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -40.06 151.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 3.5 p -85.83 140.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -79.42 135.16 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 94.9 mt -144.4 151.76 39.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 115.11 29.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CG1' HG21 ' A' ' 31' ' ' VAL . 12.4 mm -80.2 89.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.96 137.06 23.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -169.21 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.33 -63.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER 175.56 39.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.475 HG21 ' CE1' ' A' ' 29' ' ' HIS . 0.2 OUTLIER -120.83 156.35 32.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.447 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -131.08 98.82 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.475 ' CE1' HG21 ' A' ' 27' ' ' THR . 72.9 m-70 -98.69 106.23 18.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.95 112.16 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 22' ' ' ILE . 5.7 m -131.83 143.38 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -109.73 117.92 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 4.6 m -129.04 152.92 80.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.99 32.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.2 tp -74.44 -12.86 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.27 -15.57 60.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 145.93 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.8 p -88.76 144.14 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.94 -25.75 0.7 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -75.4 -45.19 40.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -53.03 -37.49 61.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.544 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.7 mt -40.28 -51.85 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.51 -60.17 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -19.86 65.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -29.82 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.4 mt -92.23 -36.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -29.29 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -11.71 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.05 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.565 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 32.3 p -51.5 -35.97 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.36 -23.07 12.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.5 168.02 31.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.86 34.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.29 6.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.78 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.53 66.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.26 27.42 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.419 ' CG ' HD23 ' A' ' 52' ' ' LEU . 12.0 mt-30 -109.68 158.76 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -129.04 94.18 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CD ' ' A' ' 43' ' ' LYS . 3.5 t -88.79 108.74 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.15 120.72 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.6 t80 -127.35 101.48 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 25.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.0 155.83 7.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 141.51 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.75 112.52 65.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.14 -14.04 60.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -12.49 57.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -124.98 145.78 49.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' GLU . 35.7 p -82.58 163.07 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.8 mt -43.67 -58.98 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -48.59 -30.65 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 2.3 mt-10 -84.4 -40.45 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -72.6 -5.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 81.92 86.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 77' ' ' THR . 47.8 t -136.73 145.82 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 76' ' ' VAL . 74.0 p -137.85 177.39 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.464 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 85.3 p -74.11 104.8 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.02 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 20' ' ' LEU . . . -71.97 -179.79 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.86 136.28 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.3 mm -133.15 116.28 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 141.62 28.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.5 t -133.6 145.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' LEU . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -39.8 149.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 35' ' ' LEU . 2.9 p -87.14 139.8 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 18' ' ' VAL . 1.2 m-20 -80.73 118.58 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 52.2 mt -128.43 145.86 50.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.55 120.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 31' ' ' VAL . 4.8 mm -83.92 87.87 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -83.85 135.24 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.8 t90 -165.84 122.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 21.2 m120 62.33 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -165.98 39.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -124.29 156.12 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.24 130.89 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -135.66 121.4 19.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.96 111.42 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 49' ' ' ILE . 14.6 m -130.9 141.53 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -103.04 117.41 34.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 20' ' ' LEU . 5.8 m -128.42 154.18 79.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.59 42.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.6 tp -79.69 -21.77 44.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.28 -13.23 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 128.7 37.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' SER . 16.0 p -78.02 141.71 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.01 -31.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -75.41 -52.54 10.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 mt-10 -47.33 -38.15 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 3.0 mt -39.98 -56.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CE ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -50.2 -48.48 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -20.43 66.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -34.3 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' OG1' ' A' ' 50' ' ' THR . 3.9 mt -76.24 -39.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.7 OUTLIER -59.11 -38.79 80.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -17.49 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' A' ' 31' ' ' VAL . 1.9 mt -113.67 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.572 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 27.6 p -57.72 -32.14 67.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . 75.64 -1.45 57.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -87.24 169.06 15.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 149.43 36.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -35.23 3.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.5 -37.86 65.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -80.77 -38.33 28.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -46.68 144.62 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -126.56 91.73 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG21 ' CE ' ' A' ' 43' ' ' LYS . 19.9 t -78.11 109.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtp -150.24 120.17 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -127.34 99.82 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 46.84 25.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.68 148.78 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.76 141.36 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 t -104.53 131.31 21.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 128.32 11.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -81.74 -16.86 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.13 -4.19 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.28 158.51 37.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 73' ' ' GLU . 58.8 p -96.23 163.43 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.48 -61.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -28.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' THR . 4.5 mm-40 -86.59 -40.77 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -71.35 -6.72 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 83.15 80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.1 t -128.61 148.35 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -138.55 -174.73 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 2.2 m -76.22 105.78 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.08 14.96 7.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -70.5 122.63 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 144.07 47.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.5 mm -137.62 124.48 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.51 144.01 31.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.02 138.29 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -39.83 154.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 5.0 p -88.65 141.96 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.13 114.9 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 mt -125.12 146.32 49.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 31' ' ' VAL . 4.5 mm -87.76 88.06 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -79.74 130.9 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -161.41 111.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.06 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.83 39.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.15 149.64 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -128.19 99.52 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -93.73 123.21 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.59 113.85 19.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 22' ' ' ILE . 15.7 m -137.45 138.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -107.11 130.97 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 1.5 m -144.3 152.49 54.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.48 32.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 76' ' ' VAL . 4.8 tp -74.24 -17.97 60.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -17.98 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -57.23 148.69 21.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . 11.7 p -88.96 142.69 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.91 -27.03 0.34 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -73.66 -47.03 42.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' THR . 17.0 mt-10 -49.27 -39.58 31.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.2 mt -40.71 -51.22 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -47.64 -62.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.82 -19.36 62.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.53 -30.13 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.7 mt -90.87 -38.55 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -12.2 59.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 31' ' ' VAL . 1.5 mt -114.28 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 46' ' ' ILE . 23.9 p -53.24 -34.37 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.6 -5.42 61.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -89.68 167.53 17.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.93 29.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.53 6.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.51 64.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mmm -104.87 29.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.455 ' CG ' HD21 ' A' ' 52' ' ' LEU . 10.7 mt-30 -113.37 154.71 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CB ' ' CG1' ' A' ' 85' ' ' VAL . 2.6 tmtt? -129.0 91.56 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 t -83.22 113.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.2 mtp -150.65 120.67 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -127.25 103.24 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 50.28 23.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.91 158.1 7.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.64 139.05 33.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -106.69 106.7 58.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.64 19.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -80.58 -15.69 55.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -3.94 50.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.51 139.9 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.5 p -76.97 165.95 23.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.4 mt -50.94 -60.55 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.6 ttt-85 -55.22 -18.51 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -89.03 -43.3 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.8 OUTLIER -75.86 -2.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mttt 85.4 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 35' ' ' LEU . 75.3 t -136.49 146.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -144.8 -173.21 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 78.8 p -76.01 107.63 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.37 23.23 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.29 121.02 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.237 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.96 145.98 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.4 mm -138.06 106.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.36 132.39 34.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.5 t -119.12 138.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 58' ' ' LYS . 1.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -40.16 150.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 5.0 p -82.88 147.79 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 133.42 34.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 88.7 mt -144.79 147.03 32.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 118.28 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.482 HD12 ' CG2' ' A' ' 31' ' ' VAL . 4.4 mm -84.11 88.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' CG ' ' A' ' 81' ' ' LYS . 4.6 mm -80.4 132.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CH2' HD22 ' A' ' 52' ' ' LEU . 15.8 t90 -163.19 106.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.965 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -73.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.37 37.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.5 p -120.7 146.28 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 104.67 8.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -104.97 105.95 16.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -70.85 105.38 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG2' HD12 ' A' ' 22' ' ' ILE . 14.0 m -126.02 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -110.05 118.04 35.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 3.8 m -129.07 153.23 80.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 149.54 37.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.1 tp -72.24 -20.78 61.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.08 -12.1 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 m -59.43 128.03 35.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLU . 57.9 p -73.63 140.56 46.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.82 -25.11 1.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.463 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . 28.9 t -77.95 -39.17 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.746 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mt-10 -61.9 -33.5 74.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 3.8 mt -42.19 -54.48 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -46.84 -55.91 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -79.73 -31.23 41.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 50' ' ' THR . 3.1 mt -88.65 -42.62 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -30.17 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -12.32 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 HD12 ' CG1' ' A' ' 31' ' ' VAL . 1.6 mt -113.23 -60.41 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.479 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 69.2 p -52.13 -35.6 48.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.05 -25.41 8.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.557 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -75.58 167.37 37.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.98 32.03 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.5 10.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.69 -16.34 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.05 -34.74 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -56.71 143.71 35.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 7.2 tttm -117.43 92.03 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG23 ' CD ' ' A' ' 43' ' ' LYS . 17.3 t -76.54 107.37 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 mtp -150.12 120.41 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.5 t80 -127.47 102.97 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 46.94 25.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.3 150.35 5.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 140.8 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.5 t -102.24 115.36 64.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.8 22.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 40' ' ' SER . 35.1 mt-10 -82.61 -31.48 28.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -24.96 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -113.3 138.49 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' ILE . 14.6 p -79.72 169.05 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 15.3 mt -46.92 -58.87 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -50.89 -21.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' THR . 8.5 mm-40 -95.06 -31.68 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.14 1.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 76.04 74.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 71' ' ' LEU . 7.6 t -117.74 152.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.2 p -137.45 177.16 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.469 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.4 t -80.43 103.43 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.48 20.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 20' ' ' LEU . . . -65.99 -179.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.62 149.28 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.6 mm -138.11 116.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 130.48 42.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 85' ' ' VAL . 26.0 t -123.48 146.97 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 1.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' N ' HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.14 151.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 6.0 p -83.12 151.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -88.4 122.21 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 47.7 mt -136.27 144.28 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -106.08 129.35 54.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 31' ' ' VAL . 5.3 mm -87.86 85.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mm -77.45 120.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CH2' HD21 ' A' ' 52' ' ' LEU . 16.6 t90 -152.88 109.63 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.11 -71.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.92 36.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.0 p -117.3 152.86 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.09 96.57 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.36 109.13 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 102.98 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' CG1' ' A' ' 22' ' ' ILE . 18.9 m -118.08 141.96 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.1 ptmt -108.92 111.39 23.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.83 151.53 78.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.58 33.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.7 tp -66.66 -17.94 65.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.53 -13.65 53.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.8 m -59.62 122.28 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLU . 28.8 p -75.74 142.74 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.52 -26.34 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -77.87 -46.05 22.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.947 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' THR . 49.2 mt-10 -55.77 -36.59 67.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 71' ' ' LEU . 7.9 mt -40.32 -46.56 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 60.0 mmtt -48.49 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -14.39 54.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.84 29.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt -91.45 -39.27 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -24.21 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -13.02 60.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.436 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.3 mt -114.18 -62.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 78.1 p -52.94 -35.36 58.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 -23.03 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.565 HD21 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -72.55 167.8 29.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 142.78 28.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -75.05 -27.98 9.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.74 -22.9 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -18.21 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 45.2 mt-30 -74.37 157.2 36.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.94 92.78 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.26 108.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 mtp -150.27 120.18 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' GLY . 4.0 t80 -127.57 102.86 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.056 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt 44.11 27.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 153.19 150.3 5.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -53.72 139.32 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.7 t -109.42 109.05 60.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.32 7.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.84 -5.61 31.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.26 -19.88 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.92 142.98 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 p -77.41 164.08 25.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD2' HD12 ' A' ' 42' ' ' LEU . 20.3 mt -52.34 -48.95 65.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 35' ' ' LEU . 5.5 ttm180 -64.87 -15.68 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.1 -36.34 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -82.88 6.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.59 81.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 35' ' ' LEU . 39.2 t -132.6 152.28 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 p -154.78 -177.39 6.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 35.7 p -70.6 110.31 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.28 24.16 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -94.26 120.53 34.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 152.58 42.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.6 mm -137.01 107.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 138.63 35.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 t -125.69 156.51 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' LEU . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -40.2 156.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 2.4 p -96.21 141.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -76.81 129.65 36.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 73.6 mt -142.53 152.52 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.95 128.91 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' CG1' HG21 ' A' ' 31' ' ' VAL . 7.0 mm -94.41 119.42 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mm -114.99 130.55 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 17.5 t90 -159.0 34.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 107.968 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER 166.14 -45.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 5.9 mttm 163.53 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.2 p -54.56 161.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -125.34 94.07 4.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.97 105.96 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 114.74 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 22' ' ' ILE . 5.1 m -133.05 144.45 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.75 126.69 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 2.0 m -140.74 152.63 66.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.89 41.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.7 tp -83.65 -14.93 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -10.69 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -66.61 137.17 56.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 16.8 p -72.13 141.2 49.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.0 -26.5 0.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -76.06 -44.75 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.7 mt -40.84 -49.98 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -48.3 -56.3 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -65.98 -21.45 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -81.41 -28.7 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mt -91.36 -40.88 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.9 -20.74 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -19.04 60.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.4 mt -109.37 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.569 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 76.7 p -47.19 -38.39 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.68 53.42 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -85.2 168.18 21.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.36 34.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -29.07 8.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.59 33.72 3.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.431 ' CG ' HD23 ' A' ' 52' ' ' LEU . 6.1 mt-30 -112.78 152.69 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttp -125.31 91.95 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.91 112.34 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.6 mtp -150.34 120.8 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -127.15 101.07 6.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt 46.94 25.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 148.65 153.6 6.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.11 140.49 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 t -100.2 113.36 65.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.95 -14.96 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.03 0.79 46.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -136.48 150.34 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ILE . 69.5 p -84.91 165.04 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 42' ' ' LEU . 3.2 mt -47.87 -56.72 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttm180 -53.75 -19.55 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.5 mm-40 -94.88 -36.34 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -76.64 -1.95 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 80.61 77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.0 t -122.37 150.68 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.1 p -137.5 -178.02 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.475 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 14.5 t -84.08 104.26 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.34 19.38 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -61.26 -179.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.57 138.18 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.52 126.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.73 117.87 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.3 t -108.36 158.13 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.3 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t 62.86 139.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -165.89 151.14 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 157.88 9.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.8 162.31 20.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.25 154.73 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.71 151.83 23.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.71 98.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.01 140.32 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.42 -115.0 0.37 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.32 166.11 20.51 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.8 -131.02 18.04 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.9 t 63.4 105.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.93 -92.53 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -130.87 116.63 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.03 179.76 7.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.27 151.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 3.4 p -93.13 141.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.4 ' N ' HG21 ' A' ' 18' ' ' VAL . 3.6 m-20 -80.85 128.63 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.3 mt -131.43 149.56 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 118.57 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' CG1' HG21 ' A' ' 31' ' ' VAL . 7.0 mm -83.46 87.99 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 mm -82.13 125.61 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.3 t90 -161.89 113.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.18 -68.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -116.93 155.78 28.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -136.72 102.02 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -108.56 119.16 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -82.72 108.56 16.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG21 ' CG1' ' A' ' 22' ' ' ILE . 15.9 m -120.31 140.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 pttt -105.43 111.35 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 1.4 m -127.15 152.81 76.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.63 33.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD12 ' CG1' ' A' ' 18' ' ' VAL . 4.3 tp -71.49 -13.74 61.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -4.63 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 126.11 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.4 p -71.4 144.45 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.59 -23.34 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.8 t -79.91 -35.67 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.7 mt-10 -60.5 -38.53 84.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.9 mt -40.4 -50.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -47.8 -58.64 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.62 -19.64 65.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 tptt -78.92 -30.88 44.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.9 mt -88.12 -44.88 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -32.1 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -16.32 62.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.505 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 17.4 p -52.87 -34.31 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.81 -1.38 62.78 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -91.76 167.21 15.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 149.11 36.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.89 4.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.71 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.12 30.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.463 ' CG ' HD23 ' A' ' 52' ' ' LEU . 5.7 mt-30 -111.25 157.29 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -129.08 91.96 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.46 ' CG2' ' HE3' ' A' ' 43' ' ' LYS . 2.5 t -88.42 103.84 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtp -149.96 121.33 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 4.3 t80 -126.96 100.94 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 7.5 mtpt 48.06 24.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.79 157.53 8.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 142.96 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.95 114.28 60.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.03 27.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.65 -14.31 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -12.6 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -126.61 144.1 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 17.2 p -81.64 169.13 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -49.45 -55.42 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -20.76 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -96.31 -39.57 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -70.69 -8.57 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 84.62 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.48 151.79 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.4 p -143.44 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 23.2 t -68.04 105.25 1.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.43 20.08 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.22 21.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.0 mm -136.79 109.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.13 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.8 t -131.66 155.6 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 11.5 p -115.65 169.46 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.91 -176.5 18.01 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.03 -64.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -100.22 120.53 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.5 tt -52.4 162.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.41 131.85 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -110.82 166.18 12.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.83 8.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -103.36 -58.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -58.47 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.79 163.21 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -167.2 169.09 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.77 167.33 20.11 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -176.37 101.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.21 158.54 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.11 -167.75 33.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -146.58 131.34 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 122.38 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.11 -169.73 13.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.66 177.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.01 -164.49 11.38 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 1.3 p -169.2 121.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.75 -70.06 1.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.68 -152.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.22 154.51 51.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CG ' ' HG3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -40.55 147.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 3.1 p -91.83 150.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.86 131.08 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.9 mt -144.69 149.6 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -101.52 128.97 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 31' ' ' VAL . 4.3 mm -91.82 86.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -79.4 132.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.4 t90 -170.1 115.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 68.52 -72.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -176.69 36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.62 160.75 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -135.85 103.12 5.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' CG1' ' A' ' 22' ' ' ILE . 94.7 m-70 -105.54 105.83 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 119.95 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 22' ' ' ILE . 15.5 m -136.08 140.05 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.8 pttt -104.34 114.82 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 4.7 m -128.36 151.64 76.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.85 42.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.4 tp -79.93 -2.71 44.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.89 127.83 22.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.3 p -70.78 143.16 51.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.33 -30.11 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 t -77.9 -48.72 15.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 0.812 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 mt-10 -41.68 -36.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 71' ' ' LEU . 2.7 mt -40.4 -46.62 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD2' ' CB ' ' A' ' 54' ' ' PRO . 27.8 mmtt -47.46 -67.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.01 -19.34 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -29.87 44.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' THR . 2.8 mt -89.92 -46.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -55.77 -22.71 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -77.4 -16.13 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.1 mt -114.39 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.541 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.8 p -57.87 -31.33 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.5 5.26 55.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -93.73 167.56 13.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -74.99 -30.85 6.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.57 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.2 34.23 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CG ' HD23 ' A' ' 52' ' ' LEU . 6.4 mt-30 -110.91 155.74 22.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 91.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.55 98.85 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.9 mtp -150.19 120.81 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.9 OUTLIER -127.11 101.31 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.62 25.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.95 153.53 6.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.62 140.71 34.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -108.43 114.15 59.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.92 -6.67 34.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -10.85 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.55 157.43 35.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' ILE . 62.8 p -86.43 165.59 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 42' ' ' LEU . 8.6 mt -51.0 -55.05 19.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -55.95 -19.36 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.23 -40.39 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -73.52 -4.93 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 84.59 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.4 t -126.48 149.04 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 p -137.36 178.24 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 24.7 p -81.56 103.92 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.65 19.13 5.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 179.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -123.77 146.64 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.7 mm -138.0 118.49 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 141.38 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.84 152.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 p -144.14 176.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.82 62.08 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t -66.71 97.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.4 p -129.64 127.52 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.6 pp -111.7 122.03 65.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.9 t -154.38 -59.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.18 96.1 0.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m 63.78 84.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 t -145.77 101.64 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -158.67 131.29 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -124.46 129.45 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.6 127.31 9.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.02 156.72 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 p -166.6 169.04 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.96 -161.08 32.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.2 163.23 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.86 66.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.45 -156.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.82 -128.02 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.06 11.72 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.12 97.15 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.63 84.91 0.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 67.24 138.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.03 139.3 58.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -40.27 153.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' HD11 ' A' ' 35' ' ' LEU . 3.1 p -88.58 141.78 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.27 123.07 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 33' ' ' VAL . 73.5 mt -130.66 142.79 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.34 120.45 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' CG1' HG23 ' A' ' 31' ' ' VAL . 4.3 mm -80.8 89.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.424 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 24.8 mm -81.64 122.32 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.0 t90 -155.94 106.41 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.43 -66.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -175.35 38.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -113.83 156.05 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.06 96.3 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -105.73 108.72 20.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 110.85 7.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 22' ' ' ILE . 16.3 m -123.15 141.22 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 15.7 pttt -103.81 111.82 24.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 20' ' ' LEU . 4.2 m -130.58 150.76 77.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.95 34.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.1 tp -90.3 17.26 7.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.96 -8.91 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -66.14 123.53 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLU . 72.3 p -71.63 144.13 49.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.63 -25.34 2.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.2 t -79.78 -37.29 35.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.4 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 1.9 mt -41.43 -47.02 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -44.58 -66.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -23.32 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -29.25 60.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -92.22 -49.24 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -53.04 -39.22 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -18.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.6 mt -113.64 -60.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.459 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.7 p -55.33 -32.56 62.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.9 52.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -94.45 167.36 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.62 34.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.12 6.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.58 67.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.9 mmm -109.0 35.35 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.463 ' CG ' HD23 ' A' ' 52' ' ' LEU . 4.5 mt-30 -109.4 154.69 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 91.89 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.15 99.92 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.8 mtp -150.08 120.9 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.6 t80 -127.08 100.94 6.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt 46.29 26.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.33 154.44 6.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -54.02 141.16 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 t -110.88 114.99 53.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -85.63 -20.62 29.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -15.59 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 22.4 p -74.28 169.43 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.5 mt -50.67 -61.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -26.63 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.02 -39.69 16.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.479 ' O ' ' CD ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -75.62 -2.9 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 82.82 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.53 150.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.45 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 21.5 p -152.23 -168.15 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.419 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.443 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -80.14 109.01 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.57 23.58 4.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -91.22 118.82 30.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -72.69 153.12 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.01 104.45 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.13 132.15 36.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.54 151.02 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t -148.85 146.41 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -164.79 37.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.28 150.85 19.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -81.43 171.59 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.6 mt -135.17 -91.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p 71.56 168.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.37 173.37 32.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m 50.73 69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 31.29 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.72 122.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.32 146.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 148.98 7.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.88 123.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.764 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.36 170.04 6.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.11 -168.47 14.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.25 142.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.72 153.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.25 154.48 8.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.09 143.4 6.25 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.04 -155.32 9.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -173.44 139.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.274 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.28 79.34 1.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 67.31 141.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.63 127.68 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -55.91 150.28 13.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 8.6 p -89.57 153.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.19 110.33 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 12.2 mt -110.37 150.53 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.63 111.28 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG1' HG22 ' A' ' 31' ' ' VAL . 3.8 mm -75.41 87.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.23 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 10.6 t90 -171.71 108.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 -70.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.43 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.72 146.71 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -126.58 110.3 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -112.9 106.3 14.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.61 112.6 6.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 22' ' ' ILE . 16.0 m -123.9 140.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.34 114.87 29.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' A' ' 20' ' ' LEU . 3.5 m -134.16 151.89 77.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.48 35.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 18' ' ' VAL . 4.4 tp -75.12 -12.86 60.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -12.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 139.64 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 p -83.08 141.77 31.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.46 -26.05 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 38' ' ' THR . 6.4 t -77.66 -43.54 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.1 mt-10 -54.31 -35.53 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.6 mt -42.06 -48.67 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' CE ' HG23 ' A' ' 59' ' ' VAL . 24.3 mmtp -46.7 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.21 -19.36 44.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -30.42 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 50' ' ' THR . 2.5 mt -91.86 -44.6 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -26.94 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -12.6 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.5 mt -114.3 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.537 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 28.6 p -51.66 -35.31 41.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.77 -10.01 57.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -88.42 168.34 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.11 34.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.64 8.02 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.66 -32.99 69.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mtt -104.21 29.67 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.461 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.5 mt-30 -109.09 158.73 17.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.55 91.84 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' CE ' ' A' ' 43' ' ' LYS . 8.8 t -84.8 103.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.9 mtp -150.23 120.77 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.21 101.38 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.22 25.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.36 155.41 6.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.73 140.92 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 t -104.85 111.79 65.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.51 -15.66 51.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -9.88 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -129.24 145.7 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 61.7 p -76.84 165.68 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -50.29 -58.37 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -20.59 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -93.49 -34.33 13.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -79.95 0.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 tttp 84.09 70.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 77' ' ' THR . 78.1 t -128.67 145.9 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 40.2 p -155.12 -172.4 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.48 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -68.95 109.61 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.23 24.13 4.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -84.28 163.66 19.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 0.727 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 154.22 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 mm -137.94 115.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.08 134.89 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 t -128.72 158.75 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.54 166.03 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.55 -175.06 20.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -164.45 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.89 159.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.6 tt -51.19 167.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.9 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.28 91.86 0.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.1 4.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 159.07 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -94.66 166.76 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 59.49 159.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.26 171.28 14.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.32 -164.14 12.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -175.82 139.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.79 170.23 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.96 -161.07 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -174.09 156.82 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 174.34 10.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.88 178.07 16.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.62 -150.57 5.22 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.59 76.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' CG2' ' OD2' ' A' ' 36' ' ' ASP . 9.3 p -172.12 137.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.38 59.13 0.82 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -150.99 128.9 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 18.0 tt0 -58.08 114.63 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CB ' ' HG3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -40.35 147.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 2.6 p -89.35 140.94 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 127.11 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD13 ' CG2' ' A' ' 33' ' ' VAL . 84.9 mt -139.98 153.95 47.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -114.65 121.6 43.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.479 ' CG1' HG23 ' A' ' 31' ' ' VAL . 8.1 mm -85.58 88.58 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ILE . 22.2 mm -71.97 125.3 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 13.6 t90 -160.77 129.44 4.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.08 -77.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -174.61 47.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 170.88 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -136.43 97.96 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.403 ' CE1' ' HG1' ' A' ' 27' ' ' THR . 24.2 m-70 -84.63 105.88 15.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.19 109.51 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG23 ' CG1' ' A' ' 22' ' ' ILE . 9.3 m -130.22 142.18 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG3' ' CB ' ' A' ' 17' ' ' LEU . 8.7 pttt -105.91 121.52 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 5.0 m -135.24 150.48 72.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.58 42.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 18' ' ' VAL . 2.9 tp -80.38 -17.39 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' OD2' ' CG2' ' A' ' 13' ' ' VAL . 1.7 p30 -71.82 -16.49 62.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.6 134.18 56.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -74.15 146.27 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.06 -21.32 3.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -79.36 -42.37 25.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.8 mt-10 -53.2 -32.51 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 71' ' ' LEU . 7.2 mt -44.65 -49.09 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 13.1 mptt -47.27 -60.0 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.46 -18.76 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -78.81 -28.64 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' A' ' 50' ' ' THR . 3.3 mt -89.63 -44.7 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.51 -27.47 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -14.04 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.449 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.08 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.565 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 41.1 p -54.4 -33.69 59.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.81 -32.6 4.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -68.95 168.24 16.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 149.64 36.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.72 8.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.92 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mtm -104.56 31.93 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' CG ' HD22 ' A' ' 52' ' ' LEU . 5.5 mt-30 -111.6 166.95 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.6 mttp -129.33 96.72 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG22 ' CD ' ' A' ' 43' ' ' LYS . 2.8 t -90.37 100.74 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mtp -150.13 120.79 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 t80 -127.13 100.7 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 61' ' ' TYR . 14.3 ptpt 45.59 26.54 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.13 154.09 6.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -54.12 141.16 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.361 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.2 t -109.19 114.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.53 32.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -90.73 -31.84 16.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.59 -25.94 67.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -107.77 146.37 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' ILE . 60.8 p -85.34 168.07 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD2' HD13 ' A' ' 42' ' ' LEU . 2.0 mt -48.13 -57.16 6.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -19.45 5.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 70' ' ' THR . 46.0 mt-10 -95.63 -31.13 13.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.24 1.57 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 76.04 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 t -119.65 152.38 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.3 p -136.29 -175.76 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.475 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 7.2 t -86.67 104.15 15.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.44 23.93 4.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.68 179.42 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.7 152.0 48.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ILE . 8.7 mm -136.91 106.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.99 105.02 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.71 160.96 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 2.0 p -137.42 -173.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.47 -177.87 45.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -172.06 143.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 t -148.5 151.14 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 96.2 mt -141.57 88.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -164.82 170.7 15.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.67 97.24 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.437 1.085 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.07 159.62 39.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.4 p -82.63 129.5 34.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.92 156.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t 67.74 156.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.74 -175.25 26.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -161.44 167.58 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.09 151.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.51 118.16 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 179.74 158.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 0.709 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.0 134.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.38 163.69 15.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.67 -121.41 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.08 149.04 24.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 137.16 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.39 -94.71 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -131.38 -151.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -88.31 119.59 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD11 ' CA ' ' A' ' 34' ' ' PRO . 1.1 mm? -42.71 150.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 35' ' ' LEU . 4.4 p -89.37 142.79 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.63 122.35 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -122.7 139.28 54.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.88 117.21 30.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG1' HG23 ' A' ' 31' ' ' VAL . 5.4 mm -83.81 85.22 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -79.0 127.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CH2' HD22 ' A' ' 52' ' ' LEU . 9.5 t90 -162.77 106.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.04 -67.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 2.2 p -123.88 144.8 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 21' ' ' LYS . 1.1 ttpp -128.13 101.79 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 29' ' ' HIS . 6.7 m170 -97.19 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.572 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 102.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 22' ' ' ILE . 16.4 m -117.22 140.08 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.5 pttt -107.27 114.23 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 1.5 m -130.7 152.71 80.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.462 ' CA ' HD11 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.1 154.37 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' CG1' ' A' ' 18' ' ' VAL . 4.4 tp -79.11 -15.86 57.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -23.39 62.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 148.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.4 p -89.3 140.81 29.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.15 -28.53 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 18.3 t -75.18 -49.04 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.7 mt-10 -41.63 -41.17 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -39.79 -55.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CE ' HG22 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -42.35 -67.06 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -21.3 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.9 -28.84 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.7 mt -93.39 -46.02 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -28.15 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -72.23 -12.56 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 ' CD1' HG13 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -114.22 -60.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.469 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 36.8 p -54.78 -33.94 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.96 -26.69 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -70.63 167.17 29.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 146.07 32.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.43 8.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.27 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -26.2 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.67 157.58 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -129.02 94.49 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CE ' ' A' ' 43' ' ' LYS . 6.8 t -77.9 108.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.5 mtp -150.18 120.87 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -127.13 101.53 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt 48.93 24.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.96 155.02 6.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.95 142.37 24.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.2 t -105.27 107.71 59.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.75 22.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -83.48 -23.89 32.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.58 -9.92 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -129.63 136.84 50.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 27.5 p -73.49 169.79 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.3 mt -52.76 -58.41 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -53.94 -19.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -93.33 -33.61 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -82.98 4.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 77.14 75.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 77' ' ' THR . 25.5 t -129.99 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 13.0 p -154.53 -169.06 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.466 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 54.6 p -76.66 109.13 10.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.2 7.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.69 118.94 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -69.18 144.86 53.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.0 mm -138.3 113.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 142.85 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.408 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 38.4 t -122.28 133.56 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.37 157.57 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.97 175.56 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.1 m -166.79 137.98 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.0 m 56.52 96.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 pp -80.0 176.04 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 -60.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.0 162.03 11.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.17 8.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -57.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.38 160.26 14.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.92 147.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -175.39 152.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.5 140.62 3.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -161.29 163.43 30.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 167.99 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.96 155.59 27.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.31 149.57 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.05 144.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.8 -174.01 35.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.43 165.01 27.59 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.34 161.59 15.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.26 149.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.59 -96.93 0.63 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -139.36 -169.89 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 0.809 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -58.47 117.69 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -41.11 152.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 2.8 p -84.44 138.76 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.8 m-20 -78.36 115.35 18.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.6 mt -127.04 145.38 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -107.15 114.96 29.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG1' HG21 ' A' ' 31' ' ' VAL . 2.7 mm -76.99 91.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 9.9 mm -79.37 142.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -176.04 120.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.961 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.76 -73.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 40.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.49 165.3 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 104.78 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -108.68 117.53 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.629 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -74.93 124.35 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 22' ' ' ILE . 14.0 m -139.23 139.8 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 12.8 pttt -111.41 112.13 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 1.5 m -127.45 152.81 77.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.92 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' CG1' ' A' ' 18' ' ' VAL . 2.7 tp -80.33 -3.59 50.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -4.13 58.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 138.44 53.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 149.2 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.73 -28.74 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LYS . 7.5 t -81.66 -46.83 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.83 -34.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.9 mt -47.02 -45.73 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' SER . 22.2 mmtp -46.31 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -58.5 -22.83 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -75.9 -32.43 59.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.8 mt -90.15 -46.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -34.98 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -17.78 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.7 mt -113.3 -60.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.435 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 18.2 p -54.72 -33.19 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.25 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 HD22 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -93.18 167.47 14.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.83 35.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.8 5.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.47 66.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.99 31.21 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' CG ' HD22 ' A' ' 52' ' ' LEU . 7.4 mt-30 -112.27 151.49 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 91.74 3.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.62 103.03 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mtp -150.08 120.85 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -127.14 104.44 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.6 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 149.87 163.54 11.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 140.94 56.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.7 t -108.88 111.35 60.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.14 2.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.81 -20.55 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.84 -14.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -123.32 145.55 48.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' ILE . 75.8 p -77.42 163.37 26.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 42' ' ' LEU . 4.3 mt -49.6 -55.53 13.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.18 -19.85 8.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -94.5 -33.19 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -78.67 0.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 78.05 75.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 t -117.97 154.62 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 p -141.41 -173.62 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.411 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -84.73 105.95 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.75 24.06 4.12 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.66 119.83 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -70.54 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 mm -137.26 106.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.84 135.04 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 37.5 t -128.36 155.83 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.57 167.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.96 -176.41 17.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -173.73 66.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 m 45.92 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 -30.4 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -157.64 165.99 34.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.82 66.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -55.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.7 t 61.9 150.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -115.29 133.12 56.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -138.82 161.83 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.751 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.65 169.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 175.77 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.05 151.34 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 109.967 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -171.12 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.01 -61.91 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.8 121.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -179.46 159.08 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.08 154.94 9.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.89 166.98 14.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.75 94.08 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.26 168.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.41 -68.04 1.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -135.77 119.84 17.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.44 109.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -42.43 156.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 7.1 p -87.67 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.86 135.36 33.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 28.2 mt -142.32 146.2 34.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.74 115.76 31.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CG1' HG22 ' A' ' 31' ' ' VAL . 3.9 mm -79.5 89.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 19.8 mm -79.55 121.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CH2' HD22 ' A' ' 52' ' ' LEU . 11.3 t90 -152.34 103.04 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.47 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' TRP . 3.7 pttt -171.23 44.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -122.07 157.03 32.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -138.15 99.23 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -105.12 105.93 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.09 106.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 HG22 ' CG1' ' A' ' 22' ' ' ILE . 16.1 m -119.39 140.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -108.2 111.45 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 3.3 m -130.23 152.46 80.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.35 32.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD12 ' CG1' ' A' ' 18' ' ' VAL . 3.8 tp -73.02 -16.07 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -12.21 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.3 m -63.42 141.32 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.9 p -82.03 144.91 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -44.95 -25.14 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -76.29 -43.6 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -51.64 -39.27 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.4 mt -40.94 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' CD ' HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -43.38 -67.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.21 -20.98 63.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -77.02 -28.54 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.6 mt -92.59 -45.63 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -11.6 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.13 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.468 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 35.9 p -55.86 -33.04 64.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.75 -30.67 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -68.98 167.4 20.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -75.02 -28.91 8.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.14 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 56' ' ' MET . 9.8 tpp -94.29 -34.25 12.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 15.2 mt-30 -60.49 163.57 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -129.07 95.23 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG23 ' CD ' ' A' ' 43' ' ' LYS . 21.4 t -77.67 102.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.7 mtp -150.06 120.68 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.27 99.96 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 50.13 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.09 151.08 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -53.91 142.13 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.57 112.28 65.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.11 16.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -81.33 -19.88 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.79 -6.18 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -132.45 138.33 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 21.1 p -75.07 168.68 19.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 42' ' ' LEU . 5.2 mt -51.08 -60.02 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.64 -41.65 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -69.27 -8.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 tmtm? 86.57 89.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -137.73 151.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -134.28 179.74 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.467 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 21.8 t -82.2 103.62 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.6 24.12 4.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 20' ' ' LEU . . . -72.5 179.69 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -125.17 152.72 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.7 mm -138.01 112.27 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.27 132.75 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 24' ' ' TRP . 90.9 t -119.39 141.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.65 148.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.9 -160.55 28.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.38 156.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m 57.93 167.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 90' ' ' SER . 48.3 mm 56.1 -98.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.04 150.63 20.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.79 97.65 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -178.57 93.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.5 t 62.82 142.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.36 164.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.04 167.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.93 124.09 2.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p 179.8 149.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.13 169.71 2.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.62 119.05 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 175.27 115.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.18 152.01 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 119.06 3.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.52 -144.32 9.59 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.83 -133.55 11.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.5 t -53.92 134.33 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.86 104.53 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.52 115.14 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -105.69 137.44 43.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -43.82 150.3 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 4.4 p -88.06 149.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.39 121.12 28.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD13 ' CG2' ' A' ' 33' ' ' VAL . 33.1 mt -125.35 139.08 53.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 107.31 19.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG1' HG22 ' A' ' 31' ' ' VAL . 14.0 mm -72.07 82.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' ILE . 3.1 mm -74.22 123.47 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.3 t90 -152.59 110.73 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.7 -77.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.76 29.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 13.0 p -112.02 157.84 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -138.1 99.65 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -98.65 117.73 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.632 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 110.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG22 ' CG1' ' A' ' 22' ' ' ILE . 11.2 m -130.56 142.07 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -109.11 123.17 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.442 ' CG2' HD13 ' A' ' 20' ' ' LEU . 1.9 m -137.68 152.75 73.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 30.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 76' ' ' VAL . 4.6 tp -68.22 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.72 -18.0 61.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 73.7 m -54.57 128.65 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 40' ' ' SER . 19.8 p -72.45 142.41 48.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.11 -27.05 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 38' ' ' THR . 38.1 t -75.83 -50.24 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -42.6 -38.49 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.533 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 4.2 mt -41.14 -49.31 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -44.82 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -19.93 64.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -29.97 57.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG23 ' CG2' ' A' ' 50' ' ' THR . 5.6 mt -93.25 -47.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 1.9 t-80 -55.02 -22.17 14.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.4 t -79.58 -14.03 59.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 31' ' ' VAL . 1.4 mt -114.16 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.476 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.5 p -53.32 -34.22 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.56 -8.46 58.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -87.38 168.08 18.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.78 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.62 70.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.0 31.24 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.46 ' CG ' HD23 ' A' ' 52' ' ' LEU . 8.0 mt-30 -107.78 155.95 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.13 91.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 t -85.43 103.94 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.6 mtp -150.16 120.83 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.1 t80 -127.17 103.4 7.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 47.1 25.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.1 155.17 6.82 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.79 139.06 34.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 74' ' ' ILE . 12.6 t -110.08 110.55 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.3 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.06 -9.91 58.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.83 -3.52 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -131.11 148.45 52.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.9 p -79.52 163.84 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.7 mt -54.18 -46.99 72.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -15.07 62.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.67 -40.81 8.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.45 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.9 OUTLIER -75.54 -3.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.3 mtpt 84.87 83.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 35' ' ' LEU . 54.0 t -135.04 148.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 p -149.25 -173.25 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.474 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 31.8 t -72.83 108.53 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.06 24.15 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.55 118.54 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -76.08 148.6 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' ILE . 14.5 mm -136.69 104.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 126.33 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' ILE . 40.9 t -117.49 153.3 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.7 t -149.6 151.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.81 -175.47 32.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -176.81 142.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -166.43 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.61 76.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.168 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.84 153.87 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.74 115.8 1.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.14 7.66 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.95 162.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.97 133.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 t 63.24 127.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -174.09 135.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.8 152.96 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.32 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.2 171.1 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.92 171.18 15.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -158.82 126.71 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.9 143.95 26.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.64 146.68 12.81 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.9 148.06 18.42 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.15 103.23 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.17 110.04 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.34 -109.83 0.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.64 120.64 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -68.59 128.08 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -40.0 151.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' C ' ' A' ' 77' ' ' THR . 3.2 p -87.2 140.31 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.74 129.82 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 70.3 mt -136.21 147.02 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -103.75 118.32 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.478 ' CG1' HG21 ' A' ' 31' ' ' VAL . 4.7 mm -80.43 85.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' CG2' ' HE3' ' A' ' 83' ' ' MET . 31.7 mm -80.62 127.37 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.473 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -161.18 104.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -64.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.167 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 43.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.85 143.68 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.0 96.12 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -103.98 108.16 19.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.58 112.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG21 ' CG1' ' A' ' 22' ' ' ILE . 16.8 m -126.9 140.55 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 11.1 pttt -105.23 111.06 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 20' ' ' LEU . 3.4 m -124.59 154.19 69.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.56 41.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD13 ' CG1' ' A' ' 18' ' ' VAL . 2.4 tp -83.75 -15.02 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -74.22 -13.93 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 149.95 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.1 p -88.42 144.49 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.46 -21.88 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -78.17 -47.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' LYS . 6.4 mt-10 -49.33 -34.58 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 4.6 mt -39.68 -50.51 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.81 -65.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.75 -16.31 60.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.6 tptp -80.35 -30.63 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG21 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -93.59 -42.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -23.9 60.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -14.53 61.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.28 -60.94 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.473 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 34.9 p -50.41 -36.83 34.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.83 52.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -83.81 168.17 23.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.41 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -33.58 4.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.73 58.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.76 30.11 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.465 ' CG ' HD21 ' A' ' 52' ' ' LEU . 8.8 mt-30 -108.96 151.92 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' N ' HG11 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -124.16 91.95 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 t -85.18 105.1 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mtp -150.23 120.95 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -127.1 102.29 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.35 24.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.35 155.53 7.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -54.28 140.14 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.91 108.97 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.45 4.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -66.21 -10.23 39.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -7.15 59.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -127.31 144.54 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 73' ' ' GLU . 67.4 p -76.02 159.42 30.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.483 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 43.6 mt -48.69 -46.47 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -23.73 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 70' ' ' THR . 16.4 mm-40 -81.02 -39.83 25.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -79.06 -3.65 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 83.28 80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 77' ' ' THR . 55.1 t -127.62 145.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -139.84 -169.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.462 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -82.29 106.47 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.29 21.15 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 20' ' ' LEU . . . -79.44 119.58 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 140.91 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.5 mm -138.11 100.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.4 ' HE3' ' CG2' ' A' ' 23' ' ' ILE . 1.2 mtt -86.5 141.77 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.68 158.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 58' ' ' LYS . 7.8 p -109.41 165.2 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -117.09 -103.4 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.09 82.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.15 131.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -103.32 120.82 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.68 120.19 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.28 10.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 156.17 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 128.94 49.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -175.63 133.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 160.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.95 156.03 26.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.89 136.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -177.22 169.71 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.19 119.59 1.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.96 146.48 52.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.31 71.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.96 -142.31 12.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.87 120.93 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.72 147.44 0.29 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.85 126.33 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.7 -67.13 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -155.97 130.76 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 132.64 51.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 1.3 mm? -49.92 165.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 3.3 p -97.94 144.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.8 128.64 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.1 mt -137.7 148.49 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -109.36 116.08 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' CG1' HG23 ' A' ' 31' ' ' VAL . 5.3 mm -85.82 92.14 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.36 117.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 52' ' ' LEU . 18.6 t90 -139.66 43.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 163.29 -52.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.47 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -65.88 161.65 20.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 pttt -128.75 102.5 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -84.84 106.09 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.574 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.07 109.02 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG23 ' CG1' ' A' ' 22' ' ' ILE . 1.7 m -123.34 149.9 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -108.75 122.86 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 3.1 m -142.61 151.05 56.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' CA ' HD11 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 143.42 29.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 18' ' ' VAL . 4.6 tp -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 130.71 31.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 22.0 p -74.1 141.72 45.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.8 -29.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 t -80.26 -49.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.5 mt-10 -38.91 -37.34 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 4.8 mt -40.51 -48.28 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -44.76 -67.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -57.41 -21.19 34.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -78.48 -32.77 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.8 mt -89.58 -45.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -56.27 -22.8 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.1 -16.09 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.07 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.544 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.1 p -57.64 -31.66 66.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.85 5.41 51.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.559 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.0 167.43 15.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.89 34.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.71 5.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.35 -27.98 64.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 mmt -110.03 34.13 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.473 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.9 mt-30 -109.75 154.89 22.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 6.1 tptt -126.21 91.93 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -85.33 98.64 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 mtp -150.13 120.82 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -127.14 101.4 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 48.76 24.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 154.83 6.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -53.95 140.0 32.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 74' ' ' ILE . 14.6 t -110.76 112.44 56.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.41 4.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.568 1.825 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.23 -8.04 46.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -4.27 59.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 144.49 51.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' ILE . 75.6 p -73.05 167.16 21.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.5 mt -54.53 -56.37 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HB2' ' CG ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -59.28 -16.9 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -92.21 -36.39 13.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -83.16 4.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.84 78.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 35' ' ' LEU . 47.2 t -133.51 147.92 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.4 p -146.6 -164.82 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 5.8 m -82.4 108.58 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.96 24.17 4.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 118.33 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 145.94 46.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -137.43 117.98 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -106.52 114.15 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.506 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 2.4 t -100.65 156.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 9.6 p -135.42 154.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.69 -155.69 22.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 p -120.86 147.76 44.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.1 m -74.06 138.66 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.28 125.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -171.98 81.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.49 97.36 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.73 5.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.78 -171.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.07 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 t -131.49 -55.88 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -173.87 143.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 m -148.47 -58.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.05 -118.41 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m 60.91 95.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.79 137.82 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 104.76 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.08 120.97 14.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.04 70.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.33 175.05 17.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.63 -112.25 2.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.94 101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.77 165.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.25 -90.03 0.41 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -154.69 131.37 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.0 127.33 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -41.78 152.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 4.1 p -86.62 144.67 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 79' ' ' GLY . 86.3 m-20 -83.74 120.91 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD11 ' CG2' ' A' ' 33' ' ' VAL . 63.7 mt -130.95 143.22 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 115.48 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG1' ' CG2' ' A' ' 31' ' ' VAL . 2.7 mm -79.71 90.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 3.4 mm -83.38 136.75 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 11.1 t90 -167.13 111.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 108.053 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.4 -75.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.28 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -121.93 158.88 28.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -137.45 103.35 5.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -102.39 108.17 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.592 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -68.31 119.8 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.481 ' CG2' ' CG1' ' A' ' 22' ' ' ILE . 6.2 m -141.1 142.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.23 120.85 43.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 20' ' ' LEU . 4.4 m -133.99 150.54 74.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD12 ' CG1' ' A' ' 18' ' ' VAL . 3.9 tp -74.64 -19.82 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -15.64 60.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.52 139.04 54.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' GLU . 54.3 p -81.51 144.73 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.25 -28.51 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.8 t -79.55 -47.33 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.4 mt-10 -38.63 -41.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 5.2 mt -41.45 -49.71 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -46.42 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -62.3 -19.97 63.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -30.47 51.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 50' ' ' THR . 3.8 mt -92.92 -44.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -25.72 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -12.14 60.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.5 mt -114.17 -60.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.557 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 20.0 p -52.52 -34.7 51.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 -11.82 55.22 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -85.9 168.07 21.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.28 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.79 -25.92 65.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -5.89 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' CG ' HD23 ' A' ' 52' ' ' LEU . 25.5 mt-30 -79.88 151.57 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' CB ' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.09 91.85 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.52 108.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.21 120.2 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.4 OUTLIER -127.65 99.8 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt 45.85 26.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.01 151.82 5.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -53.9 141.07 28.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 t -102.17 114.22 65.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -62.91 -20.83 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.89 -12.42 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -126.11 147.93 49.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 74' ' ' ILE . 80.5 p -81.48 163.46 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -48.85 -55.7 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -20.32 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.55 -36.88 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -77.47 -5.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 7.3 mtpt 85.63 92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 77' ' ' THR . 69.7 t -146.6 142.98 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.43 ' N ' HG12 ' A' ' 76' ' ' VAL . 2.3 p -133.59 -173.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.47 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 p -78.73 104.09 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 114.22 23.97 4.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.68 121.09 23.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 139.93 58.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 mm -138.1 111.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 ttm -88.43 137.05 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 23' ' ' ILE . 27.3 t -117.56 142.49 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG1' ' CB ' ' A' ' 58' ' ' LYS . 3.1 m -98.41 173.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.59 -155.86 7.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.0 83.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 88' ' ' THR . 10.5 t -108.82 64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.5 tt -50.42 138.4 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 107.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.23 93.5 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -77.04 127.77 33.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.7 t -141.63 -58.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -148.39 158.84 44.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.41 167.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.61 153.21 11.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.43 145.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -155.1 151.45 28.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.05 140.14 4.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t70 177.5 166.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.47 142.42 51.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.14 176.34 21.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.22 118.89 0.9 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.31 113.07 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.94 150.13 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.05 -90.13 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.0 -145.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.17 143.58 27.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -40.41 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 35' ' ' LEU . 5.3 p -91.36 149.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -83.84 136.2 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.2 mt -143.86 146.36 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -101.68 119.87 39.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 31' ' ' VAL . 5.4 mm -79.63 84.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.69 120.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.496 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.2 t90 -160.47 110.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.41 -63.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 6.9 mmtt 177.52 43.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.422 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 1.6 p -123.33 150.44 43.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -133.35 93.94 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' NE2' ' HB ' ' A' ' 27' ' ' THR . 7.4 m170 -99.21 112.29 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -74.14 104.12 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 22' ' ' ILE . 18.3 m -120.43 140.52 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 35.3 pttt -106.69 112.2 25.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.1 m -125.95 153.46 73.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.59 41.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' CG1' ' A' ' 18' ' ' VAL . 3.7 tp -76.55 -21.05 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -17.17 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 128.5 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' GLU . 71.1 p -73.76 147.67 43.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.31 -24.26 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -82.49 -40.14 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.3 mt-10 -58.18 -25.85 62.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -51.51 -45.7 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 1.7 mmtp -58.2 -45.19 88.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.06 -19.2 63.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -33.16 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.4 mt -81.81 -37.14 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.461 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.72 -25.99 67.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -12.23 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.2 mt -114.36 -60.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.496 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 25.8 p -55.33 -32.88 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.77 -30.02 6.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -68.58 168.22 15.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.49 40.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.494 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.16 9.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.9 73.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mtm -104.57 36.58 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.434 HE22 ' N ' ' A' ' 47' ' ' HIS . 6.2 mt-30 -113.74 141.02 47.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttt -115.51 92.0 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 43' ' ' LYS . 32.8 t -84.01 112.75 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 mtp -150.24 120.49 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.45 99.81 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.93 21.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.77 155.28 7.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -55.15 139.96 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.0 t -107.29 119.77 49.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.5 17.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -81.48 -31.65 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -20.57 66.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -113.61 143.24 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 14.4 p -82.58 170.27 15.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 2.0 mt -49.9 -60.42 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -49.28 -26.04 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.86 -45.74 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -67.67 -9.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 mtpm? 81.47 86.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 77' ' ' THR . 6.4 t -123.55 158.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 51.3 p -142.01 166.63 24.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 90.4 p -75.9 104.38 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.41 24.02 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.427 1.079 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.05 171.93 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.57 148.48 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.8 mm -138.15 102.56 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -86.22 128.54 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.4 t -120.09 162.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.1 p -122.19 163.6 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.55 176.37 14.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.07 90.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -153.1 138.89 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 pp -93.36 120.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -55.21 147.12 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.71 -75.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 165.37 31.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.7 m -159.64 103.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -119.91 120.67 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -171.35 168.72 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.06 169.01 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.93 -178.42 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -141.86 170.0 16.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.76 145.5 49.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.01 -144.78 7.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.62 152.01 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.4 175.25 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.49 -177.79 15.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.62 -145.61 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.2 -177.65 29.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.1 134.06 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.6 92.23 0.52 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.26 140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.32 98.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -39.96 153.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 5.8 p -88.12 146.29 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 m-20 -84.59 134.36 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 mt -146.1 143.91 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -101.16 112.77 25.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' CG1' HG22 ' A' ' 31' ' ' VAL . 16.9 mm -74.1 82.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.438 HG13 ' CG ' ' A' ' 81' ' ' LYS . 18.3 mm -73.84 131.29 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.493 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.1 t90 -165.27 115.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.12 -75.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -171.21 40.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.97 160.62 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 101.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -103.3 112.14 24.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.82 114.01 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG22 ' CG1' ' A' ' 22' ' ' ILE . 11.3 m -133.91 141.64 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -109.54 119.43 39.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.9 m -132.06 151.92 79.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.48 36.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.9 tp -73.59 -14.82 61.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -16.61 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.29 130.76 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 53.5 p -73.14 146.46 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.76 -25.99 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -81.24 -42.21 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' LYS . 10.6 mt-10 -47.88 -36.17 11.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 3.4 mt -44.12 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' CE ' HG22 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.44 -60.44 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.14 -19.94 65.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -80.24 -30.78 38.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 42' ' ' LEU . 3.0 mt -89.05 -44.36 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -29.95 63.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -67.61 -16.02 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.5 mt -114.17 -60.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.493 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 17.3 p -53.06 -34.32 55.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.61 -0.48 60.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -91.04 167.52 15.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.5 33.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.29 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.44 66.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.81 35.84 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' CG ' HD23 ' A' ' 52' ' ' LEU . 4.7 mt-30 -108.82 162.77 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.1 104.87 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 HG22 ' CE ' ' A' ' 43' ' ' LYS . 2.0 t -109.02 106.79 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -142.75 120.18 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.448 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.7 t80 -127.69 102.54 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.82 30.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 141.3 165.11 10.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -53.81 136.75 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.4 t -99.46 114.96 65.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.85 14.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.63 -26.98 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -30.93 69.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -102.33 158.28 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ILE . 72.6 p -96.47 166.75 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -45.79 -59.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -50.37 -21.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.6 mm-40 -94.66 -33.98 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.6 OUTLIER -77.22 -8.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ILE . 1.1 mmtt 80.29 92.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 77' ' ' THR . 5.8 t -130.54 163.3 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 56.6 p -133.51 168.96 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 p -85.85 100.35 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.69 24.12 4.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -76.86 176.82 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -119.18 151.68 37.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mm -137.84 102.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.97 124.3 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.93 159.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 2.3 p -141.82 -175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 130.18 -68.51 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.27 156.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.1 m 60.49 111.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 90' ' ' SER . 23.7 mt -87.07 -84.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.426 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 29.2 t 64.02 108.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.17 155.77 17.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -70.85 141.52 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.88 99.03 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.26 127.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -175.94 162.21 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.83 149.8 5.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.8 167.44 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.954 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p -158.65 170.96 21.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.97 177.13 20.23 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -146.41 -54.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.34 170.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.63 -127.4 1.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.44 -151.26 5.88 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.95 -80.24 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 14' ' ' GLY . 4.1 m 41.38 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' VAL . . . 106.36 -86.96 0.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.39 121.29 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -53.99 107.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -40.06 151.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 33' ' ' VAL . 3.5 p -85.83 140.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -79.42 135.16 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 94.9 mt -144.4 151.76 39.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 115.11 29.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CG1' HG21 ' A' ' 31' ' ' VAL . 12.4 mm -80.2 89.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.96 137.06 23.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -169.21 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.33 -63.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER 175.56 39.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.475 HG21 ' CE1' ' A' ' 29' ' ' HIS . 0.2 OUTLIER -120.83 156.35 32.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.447 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -131.08 98.82 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.475 ' CE1' HG21 ' A' ' 27' ' ' THR . 72.9 m-70 -98.69 106.23 18.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.95 112.16 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 22' ' ' ILE . 5.7 m -131.83 143.38 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -109.73 117.92 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 4.6 m -129.04 152.92 80.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.99 32.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.2 tp -74.44 -12.86 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.27 -15.57 60.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.74 145.93 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.8 p -88.76 144.14 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.94 -25.75 0.7 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -75.4 -45.19 40.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -53.03 -37.49 61.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.544 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.7 mt -40.28 -51.85 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.51 -60.17 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -19.86 65.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -29.82 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.4 mt -92.23 -36.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -29.29 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -11.71 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.05 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.565 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 32.3 p -51.5 -35.97 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.36 -23.07 12.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -75.5 168.02 31.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.86 34.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -31.29 6.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.78 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.53 66.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.26 27.42 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' CG ' HD23 ' A' ' 52' ' ' LEU . 12.0 mt-30 -109.68 158.76 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -129.04 94.18 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CD ' ' A' ' 43' ' ' LYS . 3.5 t -88.79 108.74 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.15 120.72 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.6 t80 -127.35 101.48 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 25.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.0 155.83 7.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 141.51 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.75 112.52 65.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.14 -14.04 60.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -12.49 57.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -124.98 145.78 49.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' GLU . 35.7 p -82.58 163.07 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.8 mt -43.67 -58.98 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -48.59 -30.65 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 2.3 mt-10 -84.4 -40.45 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -72.6 -5.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 81.92 86.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 77' ' ' THR . 47.8 t -136.73 145.82 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 76' ' ' VAL . 74.0 p -137.85 177.39 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.464 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 85.3 p -74.11 104.8 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.02 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 20' ' ' LEU . . . -71.97 -179.79 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.86 136.28 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.3 mm -133.15 116.28 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 141.62 28.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.5 t -133.6 145.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t -139.24 141.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.56 -143.56 3.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.06 -62.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 m -110.88 155.92 21.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.98 -84.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 t 66.92 88.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.15 97.08 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.417 1.746 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.5 -57.75 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.67 127.27 33.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.948 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.23 -77.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.4 172.84 8.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.47 -140.08 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.99 88.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -98.55 162.66 13.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.37 -169.2 36.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 178.28 102.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.4 177.87 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.39 98.01 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.26 -117.81 5.52 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.04 137.28 3.04 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.02 148.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.85 -133.43 3.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 6.8 mttm 71.73 144.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' LEU . 10.6 pt-20 -89.28 47.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -39.8 149.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 35' ' ' LEU . 2.9 p -87.14 139.8 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 18' ' ' VAL . 1.2 m-20 -80.73 118.58 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 52.2 mt -128.43 145.86 50.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.55 120.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 31' ' ' VAL . 4.8 mm -83.92 87.87 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -83.85 135.24 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.8 t90 -165.84 122.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 21.2 m120 62.33 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -165.98 39.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -124.29 156.12 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.24 130.89 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -135.66 121.4 19.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.96 111.42 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 49' ' ' ILE . 14.6 m -130.9 141.53 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -103.04 117.41 34.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 20' ' ' LEU . 5.8 m -128.42 154.18 79.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.59 42.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.6 tp -79.69 -21.77 44.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.28 -13.23 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 128.7 37.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' SER . 16.0 p -78.02 141.71 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.01 -31.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -75.41 -52.54 10.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 mt-10 -47.33 -38.15 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 3.0 mt -39.98 -56.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' CE ' HG21 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -50.2 -48.48 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -20.43 66.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -34.3 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' OG1' ' A' ' 50' ' ' THR . 3.9 mt -76.24 -39.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.7 OUTLIER -59.11 -38.79 80.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -17.49 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 HD11 ' CG1' ' A' ' 31' ' ' VAL . 1.9 mt -113.67 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.572 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 27.6 p -57.72 -32.14 67.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . 75.64 -1.45 57.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -87.24 169.06 15.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 149.43 36.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -35.23 3.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.5 -37.86 65.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -80.77 -38.33 28.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -46.68 144.62 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -126.56 91.73 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG21 ' CE ' ' A' ' 43' ' ' LYS . 19.9 t -78.11 109.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtp -150.24 120.17 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -127.34 99.82 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 46.84 25.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.68 148.78 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.76 141.36 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 t -104.53 131.31 21.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 128.32 11.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -81.74 -16.86 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.13 -4.19 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.28 158.51 37.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 73' ' ' GLU . 58.8 p -96.23 163.43 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.48 -61.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -28.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' THR . 4.5 mm-40 -86.59 -40.77 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -71.35 -6.72 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 83.15 80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.1 t -128.61 148.35 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -138.55 -174.73 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 2.2 m -76.22 105.78 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.08 14.96 7.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -70.5 122.63 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 144.07 47.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.5 mm -137.62 124.48 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.51 144.01 31.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.9 t -128.02 138.29 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -132.56 151.54 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.99 -168.6 25.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 63.53 109.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.2 m -90.64 123.15 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 mt -70.83 86.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.11 151.46 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.23 132.93 7.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 79.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.2 p -172.66 169.71 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -114.55 158.93 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 132.59 10.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.3 p -169.19 126.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.82 172.33 43.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.74 -59.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 63.9 147.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.81 135.0 6.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -148.88 161.77 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.47 171.26 6.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.24 -157.33 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.29 119.97 1.8 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' VAL . . . 170.78 -96.85 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.0 m 38.92 40.05 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.28 -77.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -144.48 124.24 13.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.63 118.15 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -39.83 154.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 5.0 p -88.65 141.96 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.13 114.9 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.5 mt -125.12 146.32 49.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 31' ' ' VAL . 4.5 mm -87.76 88.06 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -79.74 130.9 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -161.41 111.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' HG ' ' A' ' 87' ' ' SER . 0.6 OUTLIER 70.06 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.83 39.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.15 149.64 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -128.19 99.52 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -93.73 123.21 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.59 113.85 19.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 22' ' ' ILE . 15.7 m -137.45 138.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -107.11 130.97 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 1.5 m -144.3 152.49 54.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.48 32.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 76' ' ' VAL . 4.8 tp -74.24 -17.97 60.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -17.98 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -57.23 148.69 21.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . 11.7 p -88.96 142.69 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.91 -27.03 0.34 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -73.66 -47.03 42.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' THR . 17.0 mt-10 -49.27 -39.58 31.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.513 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 6.2 mt -40.71 -51.22 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -47.64 -62.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.82 -19.36 62.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.53 -30.13 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.7 mt -90.87 -38.55 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -12.2 59.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 31' ' ' VAL . 1.5 mt -114.28 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 46' ' ' ILE . 23.9 p -53.24 -34.37 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.6 -5.42 61.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -89.68 167.53 17.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.93 29.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.53 6.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.51 64.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mmm -104.87 29.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.455 ' CG ' HD21 ' A' ' 52' ' ' LEU . 10.7 mt-30 -113.37 154.71 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' CB ' ' CG1' ' A' ' 85' ' ' VAL . 2.6 tmtt? -129.0 91.56 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 t -83.22 113.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.2 mtp -150.65 120.67 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -127.25 103.24 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 50.28 23.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.91 158.1 7.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.64 139.05 33.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 t -106.69 106.7 58.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.64 19.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -80.58 -15.69 55.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -3.94 50.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.51 139.9 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.5 p -76.97 165.95 23.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 1.4 mt -50.94 -60.55 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.6 ttt-85 -55.22 -18.51 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -89.03 -43.3 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 0.8 OUTLIER -75.86 -2.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mttt 85.4 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 35' ' ' LEU . 75.3 t -136.49 146.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -144.8 -173.21 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 78.8 p -76.01 107.63 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.37 23.23 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.29 121.02 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.237 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.96 145.98 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.4 mm -138.06 106.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.36 132.39 34.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.5 t -119.12 138.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 58' ' ' LYS . 1.7 m -100.09 170.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.76 -168.94 13.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.449 ' HG ' ' ND2' ' A' ' 25' ' ' ASN . 4.0 t 58.04 103.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.3 t -152.82 143.61 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.426 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.3 mm 44.68 73.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.36 121.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.15 -172.43 23.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.53 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.76 132.14 51.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m 47.19 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -168.49 149.79 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -176.24 165.79 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.19 121.48 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -169.62 147.22 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -173.08 166.87 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.75 103.85 0.88 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -164.79 135.34 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.63 151.12 42.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -175.05 15.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.49 169.16 40.11 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.92 155.49 26.48 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.8 t -111.94 128.64 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.36 -71.48 3.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 -167.33 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.85 115.13 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -40.16 150.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 5.0 p -82.88 147.79 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 133.42 34.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 88.7 mt -144.79 147.03 32.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 118.28 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.482 HD12 ' CG2' ' A' ' 31' ' ' VAL . 4.4 mm -84.11 88.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' CG ' ' A' ' 81' ' ' LYS . 4.6 mm -80.4 132.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CH2' HD22 ' A' ' 52' ' ' LEU . 15.8 t90 -163.19 106.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.965 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -73.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.37 37.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.5 p -120.7 146.28 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 104.67 8.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -104.97 105.95 16.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -70.85 105.38 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG2' HD12 ' A' ' 22' ' ' ILE . 14.0 m -126.02 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -110.05 118.04 35.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 3.8 m -129.07 153.23 80.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 149.54 37.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.1 tp -72.24 -20.78 61.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.08 -12.1 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 m -59.43 128.03 35.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLU . 57.9 p -73.63 140.56 46.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.82 -25.11 1.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.463 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . 28.9 t -77.95 -39.17 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.746 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mt-10 -61.9 -33.5 74.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' CD1' ' CD2' ' A' ' 71' ' ' LEU . 3.8 mt -42.19 -54.48 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' CD ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -46.84 -55.91 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -79.73 -31.23 41.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 50' ' ' THR . 3.1 mt -88.65 -42.62 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -30.17 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -12.32 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 HD12 ' CG1' ' A' ' 31' ' ' VAL . 1.6 mt -113.23 -60.41 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.479 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 69.2 p -52.13 -35.6 48.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.05 -25.41 8.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.557 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -75.58 167.37 37.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.98 32.03 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.5 10.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.69 -16.34 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.05 -34.74 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -56.71 143.71 35.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 7.2 tttm -117.43 92.03 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG23 ' CD ' ' A' ' 43' ' ' LYS . 17.3 t -76.54 107.37 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 mtp -150.12 120.41 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.5 t80 -127.47 102.97 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 46.94 25.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.3 150.35 5.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 140.8 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.5 t -102.24 115.36 64.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.8 22.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 40' ' ' SER . 35.1 mt-10 -82.61 -31.48 28.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -24.96 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -113.3 138.49 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' ILE . 14.6 p -79.72 169.05 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 15.3 mt -46.92 -58.87 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -50.89 -21.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' THR . 8.5 mm-40 -95.06 -31.68 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.14 1.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 76.04 74.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 71' ' ' LEU . 7.6 t -117.74 152.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.2 p -137.45 177.16 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.469 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 1.4 t -80.43 103.43 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.48 20.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 20' ' ' LEU . . . -65.99 -179.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.62 149.28 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.6 mm -138.11 116.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 130.48 42.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 85' ' ' VAL . 26.0 t -123.48 146.97 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 1.7 p -137.55 174.73 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 127.97 -90.4 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 72.07 66.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.0 t -170.15 148.1 3.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.91 -34.56 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.44 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.72 121.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.72 10.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.561 1.821 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -131.18 120.81 23.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 m -164.5 88.71 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.28 143.8 20.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.13 112.44 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.63 69.06 0.22 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.64 106.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -164.47 125.61 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 118.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.95 -55.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.53 170.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.64 144.26 6.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.32 -149.02 17.01 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.52 178.95 19.25 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.67 137.3 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.36 -79.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -141.98 123.87 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.85 121.44 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' N ' HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.14 151.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 6.0 p -83.12 151.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -88.4 122.21 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 47.7 mt -136.27 144.28 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -106.08 129.35 54.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 31' ' ' VAL . 5.3 mm -87.86 85.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mm -77.45 120.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CH2' HD21 ' A' ' 52' ' ' LEU . 16.6 t90 -152.88 109.63 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.11 -71.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.92 36.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.0 p -117.3 152.86 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.09 96.57 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.36 109.13 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 102.98 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' CG1' ' A' ' 22' ' ' ILE . 18.9 m -118.08 141.96 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.1 ptmt -108.92 111.39 23.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.83 151.53 78.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.58 33.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.7 tp -66.66 -17.94 65.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.53 -13.65 53.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.8 m -59.62 122.28 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLU . 28.8 p -75.74 142.74 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.52 -26.34 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -77.87 -46.05 22.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.947 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' THR . 49.2 mt-10 -55.77 -36.59 67.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 71' ' ' LEU . 7.9 mt -40.32 -46.56 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 60.0 mmtt -48.49 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -14.39 54.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.84 29.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' LEU . 4.0 mt -91.45 -39.27 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -24.21 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -13.02 60.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.436 ' CD1' HG13 ' A' ' 31' ' ' VAL . 1.3 mt -114.18 -62.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 78.1 p -52.94 -35.36 58.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 -23.03 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.565 HD21 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -72.55 167.8 29.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 142.78 28.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -75.05 -27.98 9.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.74 -22.9 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -18.21 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 45.2 mt-30 -74.37 157.2 36.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.94 92.78 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.26 108.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 mtp -150.27 120.18 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' GLY . 4.0 t80 -127.57 102.86 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.056 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt 44.11 27.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 153.19 150.3 5.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -53.72 139.32 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.7 t -109.42 109.05 60.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.32 7.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.84 -5.61 31.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.26 -19.88 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.92 142.98 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 p -77.41 164.08 25.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD2' HD12 ' A' ' 42' ' ' LEU . 20.3 mt -52.34 -48.95 65.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 35' ' ' LEU . 5.5 ttm180 -64.87 -15.68 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.1 -36.34 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -82.88 6.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.59 81.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 35' ' ' LEU . 39.2 t -132.6 152.28 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.9 p -154.78 -177.39 6.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 35.7 p -70.6 110.31 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.28 24.16 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -94.26 120.53 34.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 152.58 42.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.6 mm -137.01 107.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 138.63 35.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.1 t -125.69 156.51 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -137.92 148.46 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' SER . . . 155.96 179.0 30.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 86' ' ' GLY . 0.6 OUTLIER 84.22 104.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 0.78 . . . . 0.0 110.014 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.45 102.77 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mt 51.98 76.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.37 169.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.32 169.31 31.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 167.63 26.62 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.09 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -160.25 137.27 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -165.99 168.09 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.69 163.05 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.2 -128.05 1.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 63.72 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -168.98 156.08 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.08 129.87 3.3 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -176.33 138.31 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.96 150.41 22.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.89 166.4 10.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.23 -164.17 35.24 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 56.26 -143.83 37.28 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -81.99 158.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.36 145.46 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -137.34 -168.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' LEU . 1.4 tt0 -59.22 116.82 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' HB3' ' N ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -40.2 156.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 2.4 p -96.21 141.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -76.81 129.65 36.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 73.6 mt -142.53 152.52 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.95 128.91 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' CG1' HG21 ' A' ' 31' ' ' VAL . 7.0 mm -94.41 119.42 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mm -114.99 130.55 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 17.5 t90 -159.0 34.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 107.968 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER 166.14 -45.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 5.9 mttm 163.53 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.2 p -54.56 161.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -125.34 94.07 4.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.97 105.96 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 114.74 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 22' ' ' ILE . 5.1 m -133.05 144.45 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.75 126.69 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 2.0 m -140.74 152.63 66.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.89 41.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 18' ' ' VAL . 3.7 tp -83.65 -14.93 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -10.69 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -66.61 137.17 56.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 16.8 p -72.13 141.2 49.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.0 -26.5 0.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -76.06 -44.75 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.7 mt -40.84 -49.98 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -48.3 -56.3 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -65.98 -21.45 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -81.41 -28.7 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' LEU . 2.8 mt -91.36 -40.88 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.9 -20.74 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -19.04 60.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.4 mt -109.37 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.569 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 76.7 p -47.19 -38.39 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.68 53.42 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD23 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -85.2 168.18 21.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.36 34.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -29.07 8.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.59 33.72 3.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.431 ' CG ' HD23 ' A' ' 52' ' ' LEU . 6.1 mt-30 -112.78 152.69 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttp -125.31 91.95 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.91 112.34 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.6 mtp -150.34 120.8 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -127.15 101.07 6.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt 46.94 25.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 148.65 153.6 6.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.11 140.49 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 t -100.2 113.36 65.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.95 -14.96 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.03 0.79 46.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -136.48 150.34 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' ILE . 69.5 p -84.91 165.04 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 42' ' ' LEU . 3.2 mt -47.87 -56.72 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttm180 -53.75 -19.55 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.5 mm-40 -94.88 -36.34 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -76.64 -1.95 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 80.61 77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.0 t -122.37 150.68 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.1 p -137.5 -178.02 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.475 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 14.5 t -84.08 104.26 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.34 19.38 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -61.26 -179.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.57 138.18 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.52 126.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.73 117.87 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.3 t -108.36 158.13 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.3 p -143.45 168.85 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.58 138.77 10.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m -123.18 120.57 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 m -140.72 117.39 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -85.69 105.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.34 -64.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.66 97.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -97.05 -61.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.22 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.27 151.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG11 HD13 ' A' ' 35' ' ' LEU . 3.4 p -93.13 141.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.85 128.63 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 80' ' ' ALA . 65.3 mt -131.43 149.56 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.14 118.57 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.728 HD11 HG21 ' A' ' 31' ' ' VAL . 7.0 mm -83.46 87.99 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 21' ' ' LYS . 7.0 mm -82.13 125.61 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.3 t90 -161.89 113.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.18 -68.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -116.93 155.78 28.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -136.72 102.02 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -108.56 119.16 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -82.72 108.56 16.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HD13 ' A' ' 49' ' ' ILE . 15.9 m -120.31 140.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 pttt -105.43 111.35 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.4 m -127.15 152.81 76.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.63 33.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD13 HG11 ' A' ' 18' ' ' VAL . 4.3 tp -71.49 -13.74 61.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -4.63 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 126.11 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.4 p -71.4 144.45 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.59 -23.34 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.8 t -79.91 -35.67 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.7 mt-10 -60.5 -38.53 84.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.865 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.9 mt -40.4 -50.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -47.8 -58.64 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.62 -19.64 65.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 tptt -78.92 -30.88 44.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.573 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.9 mt -88.12 -44.88 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.58 -32.1 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -16.32 62.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.046 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.573 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.4 p -52.87 -34.31 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.81 -1.38 62.78 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -91.76 167.21 15.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.6 Cg_endo -74.94 149.11 36.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.0 -33.89 4.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.71 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.12 30.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.7 mt-30 -111.25 157.29 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -129.08 91.96 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG21 ' HE3' ' A' ' 43' ' ' LYS . 2.5 t -88.42 103.84 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtp -149.96 121.33 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 4.3 t80 -126.96 100.94 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 7.5 mtpt 48.06 24.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.79 157.53 8.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 142.96 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 15.3 t -107.95 114.28 60.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.03 27.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.65 -14.31 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -12.6 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -126.61 144.1 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 74' ' ' ILE . 17.2 p -81.64 169.13 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -49.45 -55.42 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -20.76 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -96.31 -39.57 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -70.69 -8.57 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 84.62 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 74' ' ' ILE . 41.5 t -126.48 151.79 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.4 p -143.44 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.451 ' HA ' HG23 ' A' ' 18' ' ' VAL . 23.2 t -68.04 105.25 1.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.43 20.08 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.613 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.82 122.22 21.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.0 mm -136.79 109.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.13 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 46' ' ' ILE . 27.8 t -131.66 155.6 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 11.5 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.55 147.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG11 HD13 ' A' ' 35' ' ' LEU . 3.1 p -91.83 150.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.472 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.2 m-20 -84.86 131.08 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 80' ' ' ALA . 39.9 mt -144.69 149.6 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -101.52 128.97 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.79 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -91.82 86.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -79.4 132.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.4 t90 -170.1 115.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 68.52 -72.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -176.69 36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.62 160.75 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -135.85 103.12 5.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' CG1' ' A' ' 22' ' ' ILE . 94.7 m-70 -105.54 105.83 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 119.95 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.017 HG11 HD13 ' A' ' 49' ' ' ILE . 15.5 m -136.08 140.05 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.8 pttt -104.34 114.82 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.7 m -128.36 151.64 76.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.85 42.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.84 HD13 HG11 ' A' ' 18' ' ' VAL . 3.4 tp -79.93 -2.71 44.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.89 127.83 22.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.3 p -70.78 143.16 51.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.33 -30.11 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 t -77.9 -48.72 15.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 0.812 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 mt-10 -41.68 -36.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 2.7 mt -40.4 -46.62 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD2' ' CB ' ' A' ' 54' ' ' PRO . 27.8 mmtt -47.46 -67.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.01 -19.34 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -29.87 44.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.8 mt -89.92 -46.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -55.77 -22.71 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -77.4 -16.13 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.017 HD13 HG11 ' A' ' 31' ' ' VAL . 1.1 mt -114.39 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.586 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.8 p -57.87 -31.33 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.5 5.26 55.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.73 167.56 13.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -74.99 -30.85 6.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.57 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.2 34.23 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.4 mt-30 -110.91 155.74 22.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.484 ' CB ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -127.38 91.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.55 98.85 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.9 mtp -150.19 120.81 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.9 OUTLIER -127.11 101.31 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.62 25.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.95 153.53 6.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.62 140.71 34.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.787 HG22 HD13 ' A' ' 74' ' ' ILE . 13.2 t -108.43 114.15 59.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.92 -6.67 34.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -10.85 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.55 157.43 35.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.873 ' O ' HG23 ' A' ' 74' ' ' ILE . 62.8 p -86.43 165.59 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 8.6 mt -51.0 -55.05 19.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -55.95 -19.36 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.23 -40.39 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -73.52 -4.93 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 84.59 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG13 ' A' ' 74' ' ' ILE . 39.4 t -126.48 149.04 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 p -137.36 178.24 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.445 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 24.7 p -81.56 103.92 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.65 19.13 5.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.804 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -68.53 179.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -123.77 146.64 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.7 mm -138.0 118.49 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 141.38 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.84 152.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.3 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.27 153.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.1 p -88.58 141.78 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.532 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.7 m-20 -82.27 123.07 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.5 mt -130.66 142.79 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.34 120.45 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.703 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -80.8 89.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 24.8 mm -81.64 122.32 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.0 t90 -155.94 106.41 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.43 -66.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -175.35 38.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -113.83 156.05 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.06 96.3 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -105.73 108.72 20.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 110.85 7.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HD13 ' A' ' 49' ' ' ILE . 16.3 m -123.15 141.22 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 15.7 pttt -103.81 111.82 24.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.2 m -130.58 150.76 77.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.95 34.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.1 tp -90.3 17.26 7.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.96 -8.91 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -66.14 123.53 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLU . 72.3 p -71.63 144.13 49.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -46.63 -25.34 2.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.2 t -79.78 -37.29 35.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.4 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 71' ' ' LEU . 1.9 mt -41.43 -47.02 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -44.58 -66.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -23.32 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -29.25 60.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.4 mt -92.22 -49.24 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -53.04 -39.22 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -18.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.056 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.64 -60.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.7 p -55.33 -32.56 62.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.9 52.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -94.45 167.36 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 147.62 34.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -31.12 6.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.58 67.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.9 mmm -109.0 35.35 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -109.4 154.69 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 91.89 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.15 99.92 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.8 mtp -150.08 120.9 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.6 t80 -127.08 100.94 6.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt 46.29 26.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.33 154.44 6.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.02 141.16 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.719 HG22 HD13 ' A' ' 74' ' ' ILE . 19.4 t -110.88 114.99 53.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -85.63 -20.62 29.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -15.59 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.998 ' O ' HG23 ' A' ' 74' ' ' ILE . 22.4 p -74.28 169.43 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.031 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -50.67 -61.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -26.63 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.02 -39.69 16.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.998 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -75.62 -2.9 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 82.82 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 74' ' ' ILE . 42.9 t -132.53 150.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.45 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 21.5 p -152.23 -168.15 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.419 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.477 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -80.14 109.01 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.57 23.58 4.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.626 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -91.22 118.82 30.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -72.69 153.12 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.01 104.45 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.13 132.15 36.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.54 151.02 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -55.91 150.28 13.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 8.6 p -89.57 153.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.19 110.33 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 12.2 mt -110.37 150.53 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.63 111.28 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 HG21 ' A' ' 31' ' ' VAL . 3.8 mm -75.41 87.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.23 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 10.6 t90 -171.71 108.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 -70.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.43 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.72 146.71 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -126.58 110.3 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -112.9 106.3 14.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.61 112.6 6.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HD13 ' A' ' 49' ' ' ILE . 16.0 m -123.9 140.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.34 114.87 29.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.5 m -134.16 151.89 77.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.03 148.48 35.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.633 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -75.12 -12.86 60.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -12.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 139.64 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.3 p -83.08 141.77 31.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.46 -26.05 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 38' ' ' THR . 6.4 t -77.66 -43.54 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.1 mt-10 -54.31 -35.53 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.6 mt -42.06 -48.67 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' CE ' HG23 ' A' ' 59' ' ' VAL . 24.3 mmtp -46.7 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.21 -19.36 44.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -30.42 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.657 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.5 mt -91.86 -44.6 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.28 -26.94 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -12.6 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.057 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.3 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.657 ' CG2' HG22 ' A' ' 46' ' ' ILE . 28.6 p -51.66 -35.31 41.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.77 -10.01 57.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -88.42 168.34 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.03 148.11 34.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -74.99 -29.64 8.02 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.66 -32.99 69.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mtt -104.21 29.67 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.5 mt-30 -109.09 158.73 17.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -128.55 91.84 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.484 HG23 ' CE ' ' A' ' 43' ' ' LYS . 8.8 t -84.8 103.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.9 mtp -150.23 120.77 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.21 101.38 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.22 25.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.36 155.41 6.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.73 140.92 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 74' ' ' ILE . 10.5 t -104.85 111.79 65.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.51 -15.66 51.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -9.88 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -129.24 145.7 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.959 ' O ' HG23 ' A' ' 74' ' ' ILE . 61.7 p -76.84 165.68 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -50.29 -58.37 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.612 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.35 -20.59 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -93.49 -34.33 13.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -79.95 0.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 tttp 84.09 70.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 74' ' ' ILE . 78.1 t -128.67 145.9 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.486 HG23 ' C ' ' A' ' 76' ' ' VAL . 40.2 p -155.12 -172.4 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -68.95 109.61 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.23 24.13 4.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.62 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -84.28 163.66 19.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 0.727 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 154.22 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 mm -137.94 115.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.08 134.89 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 t -128.72 158.75 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 18.0 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.35 147.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 35' ' ' LEU . 2.6 p -89.35 140.94 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -76.04 127.11 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.976 HD22 ' HB3' ' A' ' 80' ' ' ALA . 84.9 mt -139.98 153.95 47.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -114.65 121.6 43.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 31' ' ' VAL . 8.1 mm -85.58 88.58 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ILE . 22.2 mm -71.97 125.3 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.606 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 13.6 t90 -160.77 129.44 4.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.08 -77.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -174.61 47.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 170.88 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -136.43 97.96 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -84.63 105.88 15.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.19 109.51 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HD13 ' A' ' 49' ' ' ILE . 9.3 m -130.22 142.18 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD23 ' A' ' 17' ' ' LEU . 8.7 pttt -105.91 121.52 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.0 m -135.24 150.48 72.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.58 42.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 18' ' ' VAL . 2.9 tp -80.38 -17.39 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.82 -16.49 62.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.6 134.18 56.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.415 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.0 p -74.15 146.27 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.06 -21.32 3.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -79.36 -42.37 25.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.8 mt-10 -53.2 -32.51 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 71' ' ' LEU . 7.2 mt -44.65 -49.09 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 13.1 mptt -47.27 -60.0 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.46 -18.76 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -78.81 -28.64 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.3 mt -89.63 -44.7 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -27.47 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -14.04 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.08 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.606 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 41.1 p -54.4 -33.69 59.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.81 -32.6 4.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -68.95 168.24 16.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.05 149.64 36.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.72 8.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.92 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mtm -104.56 31.93 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 5.5 mt-30 -111.6 166.95 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.624 ' HB2' HG12 ' A' ' 85' ' ' VAL . 1.6 mttp -129.33 96.72 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.427 HG21 ' CD ' ' A' ' 43' ' ' LYS . 2.8 t -90.37 100.74 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mtp -150.13 120.79 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 t80 -127.13 100.7 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 61' ' ' TYR . 14.3 ptpt 45.59 26.54 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.13 154.09 6.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.12 141.16 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.709 HG22 HD13 ' A' ' 74' ' ' ILE . 16.2 t -109.19 114.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.53 32.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -90.73 -31.84 16.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.59 -25.94 67.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -107.77 146.37 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 74' ' ' ILE . 60.8 p -85.34 168.07 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.0 mt -48.13 -57.16 6.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -19.45 5.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 70' ' ' THR . 46.0 mt-10 -95.63 -31.13 13.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.951 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.24 1.57 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 76.04 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 74' ' ' ILE . 6.5 t -119.65 152.38 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.3 p -136.29 -175.76 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 18' ' ' VAL . 7.2 t -86.67 104.15 15.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.44 23.93 4.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.976 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -69.68 179.42 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.7 152.0 48.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ILE . 8.7 mm -136.91 106.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.99 105.02 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 46' ' ' ILE . 44.6 t -102.71 160.96 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 58' ' ' LYS . 2.0 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.1 mm? -42.71 150.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.4 p -89.37 142.79 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.9 m-20 -80.63 122.35 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 19' ' ' ASP . 66.8 mt -122.7 139.28 54.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.88 117.21 30.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.69 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -83.81 85.22 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.3 mm -79.0 127.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 9.5 t90 -162.77 106.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.04 -67.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 2.2 p -123.88 144.8 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 21' ' ' LYS . 1.1 ttpp -128.13 101.79 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 29' ' ' HIS . 6.7 m170 -97.19 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.572 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 102.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.97 HG11 HD13 ' A' ' 49' ' ' ILE . 16.4 m -117.22 140.08 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HD2' HD23 ' A' ' 17' ' ' LEU . 5.5 pttt -107.27 114.23 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -130.7 152.71 80.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' N ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.1 154.37 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -79.11 -15.86 57.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -23.39 62.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 148.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.4 p -89.3 140.81 29.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.15 -28.53 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 18.3 t -75.18 -49.04 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.7 mt-10 -41.63 -41.17 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -39.79 -55.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.847 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -42.35 -67.06 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -21.3 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.9 -28.84 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -93.39 -46.02 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -28.15 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -72.23 -12.56 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.97 HD13 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -114.22 -60.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.648 ' HB ' HD23 ' A' ' 52' ' ' LEU . 36.8 p -54.78 -33.94 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.96 -26.69 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.648 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -70.63 167.17 29.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.04 146.07 32.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -75.0 -29.43 8.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.27 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -26.2 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 52' ' ' LEU . 43.5 mt-30 -69.67 157.58 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -129.02 94.49 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.847 HG21 ' HD2' ' A' ' 43' ' ' LYS . 6.8 t -77.9 108.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.5 mtp -150.18 120.87 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -127.13 101.53 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt 48.93 24.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.96 155.02 6.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.95 142.37 24.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.627 HG22 HD13 ' A' ' 74' ' ' ILE . 6.2 t -105.27 107.71 59.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.75 22.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -83.48 -23.89 32.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.58 -9.92 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -129.63 136.84 50.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 1.002 ' O ' HG23 ' A' ' 74' ' ' ILE . 27.5 p -73.49 169.79 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.3 mt -52.76 -58.41 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.9 ttm180 -53.94 -19.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -93.33 -33.61 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 1.002 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -82.98 4.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 77.14 75.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.696 HG12 HD11 ' A' ' 35' ' ' LEU . 25.5 t -129.99 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.0 p -154.53 -169.06 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.458 ' HA ' HG23 ' A' ' 18' ' ' VAL . 54.6 p -76.66 109.13 10.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.2 7.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.69 118.94 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.1 tmmt? -69.18 144.86 53.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 81' ' ' LYS . 12.0 mm -138.3 113.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 142.85 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -122.28 133.56 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -41.11 152.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.8 p -84.44 138.76 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.8 m-20 -78.36 115.35 18.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 80' ' ' ALA . 44.6 mt -127.04 145.38 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -107.15 114.96 29.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' CG1' HG21 ' A' ' 31' ' ' VAL . 2.7 mm -76.99 91.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 9.9 mm -79.37 142.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 50' ' ' THR . 14.3 t90 -176.04 120.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.961 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.76 -73.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 40.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.49 165.3 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 104.78 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -108.68 117.53 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.629 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -74.93 124.35 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 49' ' ' ILE . 14.0 m -139.23 139.8 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 12.8 pttt -111.41 112.13 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.798 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -127.45 152.81 77.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.92 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' VAL . 2.7 tp -80.33 -3.59 50.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -4.13 58.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 138.44 53.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . 81.2 p -78.41 149.2 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.73 -28.74 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LYS . 7.5 t -81.66 -46.83 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.83 -34.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 mt -47.02 -45.73 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' SER . 22.2 mmtp -46.31 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -58.5 -22.83 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -75.9 -32.43 59.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 84' ' ' VAL . 3.8 mt -90.15 -46.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -34.98 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -17.78 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.796 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.7 mt -113.3 -60.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.2 p -54.72 -33.19 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.25 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.18 167.47 14.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 148.83 35.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.01 -31.8 5.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.47 66.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.99 31.21 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' CG ' HD21 ' A' ' 52' ' ' LEU . 7.4 mt-30 -112.27 151.49 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 91.74 3.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.62 103.03 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mtp -150.08 120.85 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -127.14 104.44 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.6 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 149.87 163.54 11.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 140.94 56.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 74' ' ' ILE . 10.7 t -108.88 111.35 60.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.14 2.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.81 -20.55 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.84 -14.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -123.32 145.55 48.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.948 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.8 p -77.42 163.37 26.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 42' ' ' LEU . 4.3 mt -49.6 -55.53 13.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.18 -19.85 8.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -94.5 -33.19 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -78.67 0.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 78.05 75.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 74' ' ' ILE . 11.0 t -117.97 154.62 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 p -141.41 -173.62 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -84.73 105.95 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.75 24.06 4.12 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -83.66 119.83 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -70.54 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 mm -137.26 106.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.84 135.04 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 46' ' ' ILE . 37.5 t -128.36 155.83 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.68 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -42.43 156.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 33' ' ' VAL . 7.1 p -87.67 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.3 t70 -88.86 135.36 33.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 19' ' ' ASP . 28.2 mt -142.32 146.2 34.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.74 115.76 31.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 31' ' ' VAL . 3.9 mm -79.5 89.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 19.8 mm -79.55 121.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 11.3 t90 -152.34 103.04 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.47 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' TRP . 3.7 pttt -171.23 44.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.8 p -122.07 157.03 32.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -138.15 99.23 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -105.12 105.93 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.09 106.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.009 HG11 HD13 ' A' ' 49' ' ' ILE . 16.1 m -119.39 140.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -108.2 111.45 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.838 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 m -130.23 152.46 80.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.35 32.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.731 HD13 HG11 ' A' ' 18' ' ' VAL . 3.8 tp -73.02 -16.07 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -12.21 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.3 m -63.42 141.32 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.9 p -82.03 144.91 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -44.95 -25.14 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -76.29 -43.6 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -51.64 -39.27 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.735 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.4 mt -40.94 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.883 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -43.38 -67.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.21 -20.98 63.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -77.02 -28.54 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.6 mt -92.59 -45.63 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -11.6 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.009 HD13 HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -114.13 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.614 ' HB ' HD23 ' A' ' 52' ' ' LEU . 35.9 p -55.86 -33.04 64.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.75 -30.67 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.654 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -68.98 167.4 20.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.99 146.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -75.02 -28.91 8.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.14 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 56' ' ' MET . 9.8 tpp -94.29 -34.25 12.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.654 ' CG ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-30 -60.49 163.57 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -129.07 95.23 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.883 HG21 ' HD2' ' A' ' 43' ' ' LYS . 21.4 t -77.67 102.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.7 mtp -150.06 120.68 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.27 99.96 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 50.13 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.09 151.08 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.91 142.13 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -103.57 112.28 65.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.11 16.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -81.33 -19.88 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.79 -6.18 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -132.45 138.33 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.98 ' O ' HG23 ' A' ' 74' ' ' ILE . 21.1 p -75.07 168.68 19.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD21 ' CD1' ' A' ' 42' ' ' LEU . 5.2 mt -51.08 -60.02 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.64 -41.65 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.98 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -69.27 -8.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 tmtm? 86.57 89.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 HG13 ' A' ' 74' ' ' ILE . 54.3 t -137.73 151.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -134.28 179.74 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 21.8 t -82.2 103.62 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.6 24.12 4.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.709 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.5 179.69 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -125.17 152.72 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.7 mm -138.01 112.27 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.27 132.75 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.39 141.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.672 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -43.82 150.3 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 35' ' ' LEU . 4.4 p -88.06 149.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 m-20 -86.39 121.12 28.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 19' ' ' ASP . 33.1 mt -125.35 139.08 53.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 107.31 19.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 31' ' ' VAL . 14.0 mm -72.07 82.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' ILE . 3.1 mm -74.22 123.47 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.3 t90 -152.59 110.73 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.7 -77.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.76 29.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 13.0 p -112.02 157.84 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -138.1 99.65 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -98.65 117.73 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.632 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 110.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.981 HG11 HD13 ' A' ' 49' ' ' ILE . 11.2 m -130.56 142.07 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -109.11 123.17 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.9 m -137.68 152.75 73.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 30.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 18' ' ' VAL . 4.6 tp -68.22 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.72 -18.0 61.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 71' ' ' LEU . 73.7 m -54.57 128.65 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.427 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.8 p -72.45 142.41 48.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -42.11 -27.05 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 38' ' ' THR . 38.1 t -75.83 -50.24 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -42.6 -38.49 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.03 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.2 mt -41.14 -49.31 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 46.8 mmtt -44.82 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -19.93 64.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -29.97 57.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 50' ' ' THR . 5.6 mt -93.25 -47.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.02 -22.17 14.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.602 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.4 t -79.58 -14.03 59.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.981 HD13 HG11 ' A' ' 31' ' ' VAL . 1.4 mt -114.16 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 46' ' ' ILE . 16.5 p -53.32 -34.22 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.56 -8.46 58.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -87.38 168.08 18.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.02 147.78 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.62 70.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.0 31.24 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.78 155.95 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.13 91.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG23 ' NZ ' ' A' ' 43' ' ' LYS . 15.5 t -85.43 103.94 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.6 mtp -150.16 120.83 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.1 t80 -127.17 103.4 7.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 47.1 25.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.1 155.17 6.82 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.79 139.06 34.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -110.08 110.55 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.3 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.06 -9.91 58.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.83 -3.52 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.578 ' HB2' HG22 ' A' ' 74' ' ' ILE . 3.5 mmtp -131.11 148.45 52.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 74' ' ' ILE . 71.9 p -79.52 163.84 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 mt -54.18 -46.99 72.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -15.07 62.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.67 -40.81 8.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD13 HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -75.54 -3.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.3 mtpt 84.87 83.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 35' ' ' LEU . 54.0 t -135.04 148.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 p -149.25 -173.25 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 31.8 t -72.83 108.53 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.06 24.15 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.55 118.54 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -76.08 148.6 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 14.5 mm -136.69 104.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 126.33 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' ILE . 40.9 t -117.49 153.3 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -40.0 151.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 35' ' ' LEU . 3.2 p -87.2 140.31 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.74 129.82 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 70.3 mt -136.21 147.02 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -103.75 118.32 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 31' ' ' VAL . 4.7 mm -80.43 85.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -80.62 127.37 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.51 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -161.18 104.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -64.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.167 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 43.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.85 143.68 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.0 96.12 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -103.98 108.16 19.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.58 112.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.077 HG11 HD13 ' A' ' 49' ' ' ILE . 16.8 m -126.9 140.55 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 11.1 pttt -105.23 111.06 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.4 m -124.59 154.19 69.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.0 153.56 41.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.742 ' CD1' HG11 ' A' ' 18' ' ' VAL . 2.4 tp -83.75 -15.02 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -74.22 -13.93 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 149.95 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' THR . 50.1 p -88.42 144.49 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -49.46 -21.88 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -78.17 -47.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' LYS . 6.4 mt-10 -49.33 -34.58 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 71' ' ' LEU . 4.6 mt -39.68 -50.51 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.81 -65.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.75 -16.31 60.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.6 tptp -80.35 -30.63 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.677 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -93.59 -42.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -23.9 60.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -14.53 61.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.077 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.28 -60.94 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.677 ' CG2' HG22 ' A' ' 46' ' ' ILE . 34.9 p -50.41 -36.83 34.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.83 52.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -83.81 168.17 23.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.41 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -33.58 4.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.73 58.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.494 ' O ' HG13 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -108.76 30.11 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 8.8 mt-30 -108.96 151.92 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -124.16 91.95 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 t -85.18 105.1 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mtp -150.23 120.95 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.445 ' HB2' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -127.1 102.29 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.35 24.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.35 155.53 7.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.28 140.14 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -108.91 108.97 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.45 4.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -66.21 -10.23 39.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -7.15 59.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -127.31 144.54 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 73' ' ' GLU . 67.4 p -76.02 159.42 30.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 42' ' ' LEU . 43.6 mt -48.69 -46.47 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -66.74 -23.73 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 70' ' ' THR . 16.4 mm-40 -81.02 -39.83 25.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.763 HD13 HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -79.06 -3.65 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 83.28 80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.659 HG23 HG13 ' A' ' 74' ' ' ILE . 55.1 t -127.62 145.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -139.84 -169.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.459 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.7 p -82.29 106.47 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.29 21.15 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -79.44 119.58 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 140.91 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 61' ' ' TYR . 11.5 mm -138.11 100.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -86.5 141.77 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 46' ' ' ILE . 98.9 t -128.68 158.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 56' ' ' MET . 7.8 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.3 mm? -49.92 165.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.3 p -97.94 144.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.676 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 t70 -82.8 128.64 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 80' ' ' ALA . 20.1 mt -137.7 148.49 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -109.36 116.08 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG13 HD12 ' A' ' 49' ' ' ILE . 5.3 mm -85.82 92.14 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.36 117.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 18.6 t90 -139.66 43.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 163.29 -52.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.47 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -65.88 161.65 20.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 pttt -128.75 102.5 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -84.84 106.09 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.574 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.07 109.02 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.9 HG11 HD13 ' A' ' 49' ' ' ILE . 1.7 m -123.34 149.9 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -108.75 122.86 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -142.61 151.05 56.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.42 29.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 72' ' ' ARG . 4.6 tp -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 130.71 31.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 22.0 p -74.1 141.72 45.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.8 -29.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 t -80.26 -49.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.5 mt-10 -38.91 -37.34 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.8 mt -40.51 -48.28 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -44.76 -67.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -57.41 -21.19 34.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -78.48 -32.77 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CG2' ' A' ' 50' ' ' THR . 6.8 mt -89.58 -45.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -56.27 -22.8 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.1 -16.09 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.9 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.07 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.582 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.1 p -57.64 -31.66 66.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.85 5.41 51.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.0 167.43 15.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.04 147.89 34.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.02 -32.71 5.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.35 -27.98 64.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 mmt -110.03 34.13 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.427 ' HG2' HD21 ' A' ' 52' ' ' LEU . 5.9 mt-30 -109.75 154.89 22.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.77 ' CB ' HG12 ' A' ' 85' ' ' VAL . 6.1 tptt -126.21 91.93 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -85.33 98.64 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 mtp -150.13 120.82 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -127.14 101.4 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 48.76 24.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 154.83 6.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 140.0 32.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -110.76 112.44 56.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.41 4.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.568 1.825 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.23 -8.04 46.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -4.27 59.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -131.63 144.49 51.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.6 p -73.05 167.16 21.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -54.53 -56.37 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.776 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -59.28 -16.9 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -92.21 -36.39 13.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.815 HG23 ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER -83.16 4.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.84 78.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.628 HG12 HD11 ' A' ' 35' ' ' LEU . 47.2 t -133.51 147.92 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.4 p -146.6 -164.82 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.425 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.8 m -82.4 108.58 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.96 24.17 4.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.741 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -78.6 118.33 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 145.94 46.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -137.43 117.98 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -106.52 114.15 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 2.4 t -100.65 156.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.77 HG12 ' CB ' ' A' ' 58' ' ' LYS . 9.6 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.658 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -41.78 152.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.1 p -86.62 144.67 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 20' ' ' LEU . 86.3 m-20 -83.74 120.91 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 80' ' ' ALA . 63.7 mt -130.95 143.22 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 115.48 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 2.7 mm -79.71 90.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 84' ' ' VAL . 3.4 mm -83.38 136.75 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 11.1 t90 -167.13 111.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 108.053 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.4 -75.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.28 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -121.93 158.88 28.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -137.45 103.35 5.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -102.39 108.17 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.592 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -68.31 119.8 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.99 HG11 HD13 ' A' ' 49' ' ' ILE . 6.2 m -141.1 142.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.551 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -110.23 120.85 43.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.4 m -133.99 150.54 74.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -74.64 -19.82 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -15.64 60.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.52 139.04 54.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' GLU . 54.3 p -81.51 144.73 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.25 -28.51 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.8 t -79.55 -47.33 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.4 mt-10 -38.63 -41.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.2 mt -41.45 -49.71 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' A' ' 59' ' ' VAL . 25.2 mmtp -46.42 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -62.3 -19.97 63.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -30.47 51.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.612 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.8 mt -92.92 -44.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' N ' HE22 ' A' ' 57' ' ' GLN . 0.6 OUTLIER -57.41 -25.72 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -12.14 60.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.99 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.612 ' CG2' HG22 ' A' ' 46' ' ' ILE . 20.0 p -52.52 -34.7 51.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 -11.82 55.22 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.9 168.07 21.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.98 -26.28 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.79 -25.92 65.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -5.89 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 25.5 mt-30 -79.88 151.57 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.585 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.09 91.85 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.592 HG23 ' HE3' ' A' ' 43' ' ' LYS . 20.1 t -78.52 108.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.21 120.2 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.4 OUTLIER -127.65 99.8 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt 45.85 26.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.01 151.82 5.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.9 141.07 28.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -102.17 114.22 65.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -62.91 -20.83 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.89 -12.42 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -126.11 147.93 49.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.5 p -81.48 163.46 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -48.85 -55.7 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -20.32 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.55 -36.88 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -77.47 -5.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 7.3 mtpt 85.63 92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG23 HG13 ' A' ' 74' ' ' ILE . 69.7 t -146.6 142.98 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -133.59 -173.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 p -78.73 104.09 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 114.22 23.97 4.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -77.68 121.09 23.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 139.93 58.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 mm -138.1 111.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 ttm -88.43 137.05 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 27.3 t -117.56 142.49 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.585 HG11 ' CB ' ' A' ' 58' ' ' LYS . 3.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.41 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.3 p -91.36 149.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.2 m-20 -83.84 136.2 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 19' ' ' ASP . 75.2 mt -143.86 146.36 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -101.68 119.87 39.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -79.63 84.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.69 120.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.2 t90 -160.47 110.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.41 -63.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 6.9 mmtt 177.52 43.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.42 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 1.6 p -123.33 150.44 43.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -133.35 93.94 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' NE2' ' HB ' ' A' ' 27' ' ' THR . 7.4 m170 -99.21 112.29 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -74.14 104.12 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.999 HG11 HD13 ' A' ' 49' ' ' ILE . 18.3 m -120.43 140.52 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 17' ' ' LEU . 35.3 pttt -106.69 112.2 25.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -125.95 153.46 73.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.59 41.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -76.55 -21.05 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -17.17 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 128.5 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' GLU . 71.1 p -73.76 147.67 43.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.31 -24.26 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -82.49 -40.14 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.3 mt-10 -58.18 -25.85 62.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 71' ' ' LEU . 5.5 mt -51.51 -45.7 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.823 ' HE2' HG23 ' A' ' 59' ' ' VAL . 1.7 mmtp -58.2 -45.19 88.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.06 -19.2 63.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -33.16 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 84' ' ' VAL . 4.4 mt -81.81 -37.14 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.451 ' N ' HE22 ' A' ' 57' ' ' GLN . 0.2 OUTLIER -61.72 -25.99 67.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -12.23 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.999 HD13 HG11 ' A' ' 31' ' ' VAL . 1.2 mt -114.36 -60.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.586 ' CG2' HG22 ' A' ' 46' ' ' ILE . 25.8 p -55.33 -32.88 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.77 -30.02 6.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -68.58 168.22 15.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.49 40.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.493 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.16 9.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.9 73.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mtm -104.57 36.58 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.451 HE22 ' N ' ' A' ' 47' ' ' HIS . 6.2 mt-30 -113.74 141.02 47.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttt -115.51 92.0 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.823 HG23 ' HE2' ' A' ' 43' ' ' LYS . 32.8 t -84.01 112.75 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 mtp -150.24 120.49 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.45 99.81 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.93 21.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.77 155.28 7.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 139.96 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HD13 ' A' ' 74' ' ' ILE . 13.0 t -107.29 119.77 49.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.5 17.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -81.48 -31.65 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -20.57 66.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -113.61 143.24 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.957 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.4 p -82.58 170.27 15.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 42' ' ' LEU . 2.0 mt -49.9 -60.42 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -49.28 -26.04 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.86 -45.74 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.957 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -67.67 -9.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 mtpm? 81.47 86.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 HG13 ' A' ' 74' ' ' ILE . 6.4 t -123.55 158.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 51.3 p -142.01 166.63 24.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.422 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 90.4 p -75.9 104.38 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.41 24.02 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.427 1.079 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -80.05 171.93 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.57 148.48 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.8 mm -138.15 102.56 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -86.22 128.54 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.601 HG21 HG21 ' A' ' 46' ' ' ILE . 58.4 t -120.09 162.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.1 p . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.674 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -39.96 153.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.8 p -88.12 146.29 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 m-20 -84.59 134.36 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 19' ' ' ASP . 53.3 mt -146.1 143.91 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -101.16 112.77 25.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' VAL . 16.9 mm -74.1 82.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 84' ' ' VAL . 18.3 mm -73.84 131.29 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.1 t90 -165.27 115.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.12 -75.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -171.21 40.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.97 160.62 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 101.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -103.3 112.14 24.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.82 114.01 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.053 HG11 HD13 ' A' ' 49' ' ' ILE . 11.3 m -133.91 141.64 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -109.54 119.43 39.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.9 m -132.06 151.92 79.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.48 36.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -73.59 -14.82 61.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -16.61 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.29 130.76 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 53.5 p -73.14 146.46 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.76 -25.99 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -81.24 -42.21 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' LYS . 10.6 mt-10 -47.88 -36.17 11.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.932 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.4 mt -44.12 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.737 ' CE ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.44 -60.44 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.14 -19.94 65.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -80.24 -30.78 38.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -89.05 -44.36 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -29.95 63.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -67.61 -16.02 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.053 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.3 p -53.06 -34.32 55.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.61 -0.48 60.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -91.04 167.52 15.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.5 33.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.98 -31.29 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.44 66.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.81 35.84 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -108.82 162.77 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.808 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.1 104.87 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.737 HG21 ' CE ' ' A' ' 43' ' ' LYS . 2.0 t -109.02 106.79 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -142.75 120.18 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t80 -127.69 102.54 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.82 30.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 141.3 165.11 10.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -53.81 136.75 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 74' ' ' ILE . 15.4 t -99.46 114.96 65.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.85 14.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.63 -26.98 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -30.93 69.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -102.33 158.28 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 74' ' ' ILE . 72.6 p -96.47 166.75 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.932 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -45.79 -59.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -50.37 -21.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.6 mm-40 -94.66 -33.98 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 70' ' ' THR . 0.6 OUTLIER -77.22 -8.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ILE . 1.1 mmtt 80.29 92.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 77' ' ' THR . 5.8 t -130.54 163.3 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 56.6 p -133.51 168.96 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.454 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 p -85.85 100.35 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.69 24.12 4.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -76.86 176.82 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -119.18 151.68 37.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 81' ' ' LYS . 4.9 mm -137.84 102.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.97 124.3 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 23' ' ' ILE . 21.4 t -118.93 159.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.808 HG12 ' HB2' ' A' ' 58' ' ' LYS . 2.3 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -40.06 151.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.5 p -85.83 140.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.9 t0 -79.42 135.16 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 80' ' ' ALA . 94.9 mt -144.4 151.76 39.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 115.11 29.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 46' ' ' ILE . 12.4 mm -80.2 89.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.96 137.06 23.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.608 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -169.21 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.33 -63.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER 175.56 39.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.83 156.35 32.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.447 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -131.08 98.82 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -98.69 106.23 18.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.95 112.16 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.126 HG11 HD13 ' A' ' 49' ' ' ILE . 5.7 m -131.83 143.38 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -109.73 117.92 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.79 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.6 m -129.04 152.92 80.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.99 32.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.2 tp -74.44 -12.86 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.27 -15.57 60.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -59.74 145.93 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.492 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.8 p -88.76 144.14 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.94 -25.75 0.7 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -75.4 -45.19 40.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -53.03 -37.49 61.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.7 mt -40.28 -51.85 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.51 -60.17 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -19.86 65.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -29.82 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.794 HG21 HG21 ' A' ' 84' ' ' VAL . 2.4 mt -92.23 -36.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -29.29 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -11.71 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.126 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.608 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 32.3 p -51.5 -35.97 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.36 -23.07 12.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.5 168.02 31.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.86 34.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.04 -31.29 6.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.78 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.53 66.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.26 27.42 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 12.0 mt-30 -109.68 158.76 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -129.04 94.18 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG21 ' CD ' ' A' ' 43' ' ' LYS . 3.5 t -88.79 108.74 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.15 120.72 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.6 t80 -127.35 101.48 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 25.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.0 155.83 7.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 141.51 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -101.75 112.52 65.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.14 -14.04 60.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -12.49 57.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -124.98 145.78 49.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' ILE . 35.7 p -82.58 163.07 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.007 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.8 mt -43.67 -58.98 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.8 ttp85 -48.59 -30.65 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 2.3 mt-10 -84.4 -40.45 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -72.6 -5.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 81.92 86.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG23 HG13 ' A' ' 74' ' ' ILE . 47.8 t -136.73 145.82 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 p -137.85 177.39 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.434 ' CA ' HG23 ' A' ' 18' ' ' VAL . 85.3 p -74.11 104.8 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.02 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.026 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -71.97 -179.79 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.86 136.28 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.3 mm -133.15 116.28 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 141.62 28.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.794 HG21 HG21 ' A' ' 46' ' ' ILE . 99.5 t -133.6 145.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' LEU . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.688 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -39.8 149.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG11 HD13 ' A' ' 35' ' ' LEU . 2.9 p -87.14 139.8 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.73 118.58 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 80' ' ' ALA . 52.2 mt -128.43 145.86 50.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.55 120.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 HG21 ' A' ' 31' ' ' VAL . 4.8 mm -83.92 87.87 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -83.85 135.24 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.8 t90 -165.84 122.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 21.2 m120 62.33 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -165.98 39.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -124.29 156.12 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.24 130.89 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -135.66 121.4 19.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.96 111.42 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.062 HG11 HD13 ' A' ' 49' ' ' ILE . 14.6 m -130.9 141.53 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -103.04 117.41 34.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.648 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 m -128.42 154.18 79.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.59 42.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 HG11 ' A' ' 18' ' ' VAL . 3.6 tp -79.69 -21.77 44.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.28 -13.23 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 128.7 37.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' SER . 16.0 p -78.02 141.71 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.01 -31.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -75.41 -52.54 10.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 mt-10 -47.33 -38.15 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.029 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.0 mt -39.98 -56.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -50.2 -48.48 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -20.43 66.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -34.3 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 43' ' ' LYS . 3.9 mt -76.24 -39.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 t60 -59.11 -38.79 80.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -17.49 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.062 HD13 HG11 ' A' ' 31' ' ' VAL . 1.9 mt -113.67 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 ' CB ' HD23 ' A' ' 52' ' ' LEU . 27.6 p -57.72 -32.14 67.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . 75.64 -1.45 57.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -87.24 169.06 15.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.742 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 149.43 36.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.01 -35.23 3.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.5 -37.86 65.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -80.77 -38.33 28.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 43' ' ' LYS . 70.2 mt-30 -46.68 144.62 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -126.56 91.73 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.624 HG23 ' CE ' ' A' ' 43' ' ' LYS . 19.9 t -78.11 109.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtp -150.24 120.17 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -127.34 99.82 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 46.84 25.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.68 148.78 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.76 141.36 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.588 HG22 HD13 ' A' ' 74' ' ' ILE . 25.9 t -104.53 131.31 21.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 18.1 Cg_endo -75.03 128.32 11.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -81.74 -16.86 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.13 -4.19 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.28 158.51 37.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 74' ' ' ILE . 58.8 p -96.23 163.43 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.029 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.48 -61.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -28.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' THR . 4.5 mm-40 -86.59 -40.77 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -71.35 -6.72 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 83.15 80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.619 HG23 HG13 ' A' ' 74' ' ' ILE . 41.1 t -128.61 148.35 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -138.55 -174.73 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.584 ' HA ' HG23 ' A' ' 18' ' ' VAL . 2.2 m -76.22 105.78 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.08 14.96 7.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -70.5 122.63 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 144.07 47.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.5 mm -137.62 124.48 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.51 144.01 31.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 46' ' ' ILE . 34.9 t -128.02 138.29 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -39.83 154.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -88.65 141.96 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.13 114.9 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 80' ' ' ALA . 43.5 mt -125.12 146.32 49.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.618 HD11 HG21 ' A' ' 31' ' ' VAL . 4.5 mm -87.76 88.06 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -79.74 130.9 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.43 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.0 t90 -161.41 111.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.06 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.83 39.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.15 149.64 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -128.19 99.52 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -93.73 123.21 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.59 113.85 19.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.043 HG11 HD13 ' A' ' 49' ' ' ILE . 15.7 m -137.45 138.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -107.11 130.97 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.785 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -144.3 152.49 54.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.48 32.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.757 HD21 ' O ' ' A' ' 76' ' ' VAL . 4.8 tp -74.24 -17.97 60.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -17.98 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -57.23 148.69 21.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . 11.7 p -88.96 142.69 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.91 -27.03 0.34 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -73.66 -47.03 42.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' THR . 17.0 mt-10 -49.27 -39.58 31.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.2 mt -40.71 -51.22 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -47.64 -62.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.82 -19.36 62.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.53 -30.13 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -90.87 -38.55 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -12.2 59.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.043 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.28 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.48 ' CG2' HG22 ' A' ' 46' ' ' ILE . 23.9 p -53.24 -34.37 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.6 -5.42 61.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -89.68 167.53 17.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.93 29.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.95 -31.53 6.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.51 64.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mmm -104.87 29.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' HD21 ' A' ' 52' ' ' LEU . 10.7 mt-30 -113.37 154.71 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' CB ' HG11 ' A' ' 85' ' ' VAL . 2.6 tmtt? -129.0 91.56 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 t -83.22 113.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.2 mtp -150.65 120.67 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.463 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.25 103.24 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 50.28 23.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.91 158.1 7.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.64 139.05 33.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 HD13 ' A' ' 74' ' ' ILE . 6.9 t -106.69 106.7 58.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.64 19.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -80.58 -15.69 55.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -3.94 50.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.51 139.9 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' ILE . 81.5 p -76.97 165.95 23.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt -50.94 -60.55 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.433 ' HG3' HD23 ' A' ' 35' ' ' LEU . 2.6 ttt-85 -55.22 -18.51 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -89.03 -43.3 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.716 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -75.86 -2.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mttt 85.4 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.757 ' O ' HD21 ' A' ' 35' ' ' LEU . 75.3 t -136.49 146.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -144.8 -173.21 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 78.8 p -76.01 107.63 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.37 23.23 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.724 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.29 121.02 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.96 145.98 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.4 mm -138.06 106.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.36 132.39 34.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 50' ' ' THR . 28.5 t -119.12 138.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.521 HG11 ' CB ' ' A' ' 58' ' ' LYS . 1.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.16 150.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -82.88 147.79 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -85.46 133.42 34.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.001 HD22 ' HB3' ' A' ' 80' ' ' ALA . 88.7 mt -144.79 147.03 32.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 118.28 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 31' ' ' VAL . 4.4 mm -84.11 88.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' CG ' ' A' ' 81' ' ' LYS . 4.6 mm -80.4 132.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 15.8 t90 -163.19 106.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.965 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -73.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.37 37.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.5 p -120.7 146.28 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 104.67 8.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -104.97 105.95 16.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -70.85 105.38 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.066 HG11 HD13 ' A' ' 49' ' ' ILE . 14.0 m -126.02 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HG3' HD23 ' A' ' 17' ' ' LEU . 14.4 pttt -110.05 118.04 35.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.826 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 m -129.07 153.23 80.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 149.54 37.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.643 HD11 HG12 ' A' ' 76' ' ' VAL . 3.1 tp -72.24 -20.78 61.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.08 -12.1 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 m -59.43 128.03 35.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLU . 57.9 p -73.63 140.56 46.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -45.82 -25.11 1.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.463 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . 28.9 t -77.95 -39.17 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.746 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mt-10 -61.9 -33.5 74.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 3.8 mt -42.19 -54.48 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -46.84 -55.91 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -79.73 -31.23 41.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.1 mt -88.65 -42.62 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -30.17 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -12.32 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.066 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.23 -60.41 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.669 ' CG2' HG22 ' A' ' 46' ' ' ILE . 69.2 p -52.13 -35.6 48.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.05 -25.41 8.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -75.58 167.37 37.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 145.98 32.03 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.97 -26.5 10.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.69 -16.34 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.05 -34.74 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.577 ' OE1' HG21 ' A' ' 50' ' ' THR . 27.9 mt-30 -56.71 143.71 35.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.659 ' HB2' HG12 ' A' ' 85' ' ' VAL . 7.2 tttm -117.43 92.03 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG21 ' CD ' ' A' ' 43' ' ' LYS . 17.3 t -76.54 107.37 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 mtp -150.12 120.41 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.5 t80 -127.47 102.97 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 46.94 25.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.3 150.35 5.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 140.8 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 74' ' ' ILE . 17.5 t -102.24 115.36 64.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.8 22.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 40' ' ' SER . 35.1 mt-10 -82.61 -31.48 28.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -24.96 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -113.3 138.49 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.961 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.6 p -79.72 169.05 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 15.3 mt -46.92 -58.87 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -50.89 -21.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' THR . 8.5 mm-40 -95.06 -31.68 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.14 1.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 76.04 74.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 HG13 ' A' ' 74' ' ' ILE . 7.6 t -117.74 152.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.2 p -137.45 177.16 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.4 t -80.43 103.43 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.48 20.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.001 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -65.99 -179.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.62 149.28 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.6 mm -138.11 116.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 130.48 42.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 57' ' ' GLN . 26.0 t -123.48 146.97 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.14 151.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -83.12 151.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.489 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.0 t0 -88.4 122.21 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 47.7 mt -136.27 144.28 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -106.08 129.35 54.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 31' ' ' VAL . 5.3 mm -87.86 85.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' HG2' ' A' ' 28' ' ' LYS . 14.9 mm -77.45 120.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 16.6 t90 -152.88 109.63 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.11 -71.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.92 36.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.0 p -117.3 152.86 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HG2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -136.09 96.57 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.36 109.13 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 102.98 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.985 HG11 HD13 ' A' ' 49' ' ' ILE . 18.9 m -118.08 141.96 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.1 ptmt -108.92 111.39 23.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 m -129.83 151.53 78.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.58 33.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 HG12 ' A' ' 76' ' ' VAL . 3.7 tp -66.66 -17.94 65.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.53 -13.65 53.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB2' HD12 ' A' ' 71' ' ' LEU . 71.8 m -59.62 122.28 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLU . 28.8 p -75.74 142.74 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.654 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -43.52 -26.34 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -77.87 -46.05 22.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.947 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' THR . 49.2 mt-10 -55.77 -36.59 67.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 71' ' ' LEU . 7.9 mt -40.32 -46.56 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 60.0 mmtt -48.49 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -14.39 54.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.84 29.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.596 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.0 mt -91.45 -39.27 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -24.21 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -13.02 60.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.985 HD13 HG11 ' A' ' 31' ' ' VAL . 1.3 mt -114.18 -62.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.665 ' CB ' HD23 ' A' ' 52' ' ' LEU . 78.1 p -52.94 -35.36 58.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 -23.03 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -72.55 167.8 29.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.02 142.78 28.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -75.05 -27.98 9.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.74 -22.9 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -18.21 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CG ' HD11 ' A' ' 52' ' ' LEU . 45.2 mt-30 -74.37 157.2 36.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.94 92.78 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.26 108.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 mtp -150.27 120.18 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.49 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.57 102.86 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.056 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt 44.11 27.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 153.19 150.3 5.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.72 139.32 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 11.7 t -109.42 109.05 60.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.32 7.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.84 -5.61 31.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.26 -19.88 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.92 142.98 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.8 p -77.41 164.08 25.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 42' ' ' LEU . 20.3 mt -52.34 -48.95 65.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HG3' HD23 ' A' ' 35' ' ' LEU . 5.5 ttm180 -64.87 -15.68 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.1 -36.34 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.684 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -82.88 6.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.59 81.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.674 HG12 HD11 ' A' ' 35' ' ' LEU . 39.2 t -132.6 152.28 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 10.9 p -154.78 -177.39 6.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.442 ' CA ' HG23 ' A' ' 18' ' ' VAL . 35.7 p -70.6 110.31 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.28 24.16 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -94.26 120.53 34.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 152.58 42.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.6 mm -137.01 107.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 138.63 35.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' ILE . 6.1 t -125.69 156.51 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' LEU . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.657 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.2 156.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.926 HG11 HD13 ' A' ' 35' ' ' LEU . 2.4 p -96.21 141.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.522 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -76.81 129.65 36.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.075 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.6 mt -142.53 152.52 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.95 128.91 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mm -94.41 119.42 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 22' ' ' ILE . 2.9 mm -114.99 130.55 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.602 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 17.5 t90 -159.0 34.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 107.968 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER 166.14 -45.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 5.9 mttm 163.53 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.2 p -54.56 161.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -125.34 94.07 4.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.97 105.96 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 114.74 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 49' ' ' ILE . 5.1 m -133.05 144.45 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.75 126.69 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.0 m -140.74 152.63 66.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.89 41.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.926 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -83.65 -14.93 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -10.69 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -66.61 137.17 56.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 16.8 p -72.13 141.2 49.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.0 -26.5 0.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -76.06 -44.75 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HG ' HD21 ' A' ' 71' ' ' LEU . 3.7 mt -40.84 -49.98 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 59' ' ' VAL . 7.2 mptt -48.3 -56.3 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -65.98 -21.45 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -81.41 -28.7 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 84' ' ' VAL . 2.8 mt -91.36 -40.88 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -20.74 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -19.04 60.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.759 HD13 HG11 ' A' ' 31' ' ' VAL . 2.4 mt -109.37 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.717 ' CG2' HG22 ' A' ' 46' ' ' ILE . 76.7 p -47.19 -38.39 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.68 53.42 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -85.2 168.18 21.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 147.36 34.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.07 -29.07 8.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.59 33.72 3.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 6.1 mt-30 -112.78 152.69 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.698 ' CB ' HG12 ' A' ' 85' ' ' VAL . 1.3 tttp -125.31 91.95 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 43' ' ' LYS . 2.9 t -87.91 112.34 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.6 mtp -150.34 120.8 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -127.15 101.07 6.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt 46.94 25.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 148.65 153.6 6.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.11 140.49 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG22 HD13 ' A' ' 74' ' ' ILE . 14.7 t -100.2 113.36 65.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.95 -14.96 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.03 0.79 46.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -136.48 150.34 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.865 ' O ' HG23 ' A' ' 74' ' ' ILE . 69.5 p -84.91 165.04 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 mt -47.87 -56.72 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttm180 -53.75 -19.55 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.5 mm-40 -94.88 -36.34 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -76.64 -1.95 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 80.61 77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.628 HG23 HG13 ' A' ' 74' ' ' ILE . 23.0 t -122.37 150.68 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.1 p -137.5 -178.02 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 18' ' ' VAL . 14.5 t -84.08 104.26 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.34 19.38 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.075 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -61.26 -179.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.57 138.18 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.52 126.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.73 117.87 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.93 HG21 HG21 ' A' ' 46' ' ' ILE . 92.3 t -108.36 158.13 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.698 HG12 ' CB ' ' A' ' 58' ' ' LYS . 3.3 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t 62.86 139.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -165.89 151.14 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 157.88 9.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.8 162.31 20.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.25 154.73 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.71 151.83 23.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.71 98.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.01 140.32 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.42 -115.0 0.37 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.32 166.11 20.51 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.8 -131.02 18.04 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.9 t 63.4 105.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.93 -92.53 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -130.87 116.63 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.03 179.76 7.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.27 151.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG11 HD13 ' A' ' 35' ' ' LEU . 3.4 p -93.13 141.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.85 128.63 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 80' ' ' ALA . 65.3 mt -131.43 149.56 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.14 118.57 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.728 HD11 HG21 ' A' ' 31' ' ' VAL . 7.0 mm -83.46 87.99 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 21' ' ' LYS . 7.0 mm -82.13 125.61 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.3 t90 -161.89 113.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.18 -68.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -116.93 155.78 28.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -136.72 102.02 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -108.56 119.16 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -82.72 108.56 16.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HD13 ' A' ' 49' ' ' ILE . 15.9 m -120.31 140.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 pttt -105.43 111.35 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.4 m -127.15 152.81 76.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.63 33.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD13 HG11 ' A' ' 18' ' ' VAL . 4.3 tp -71.49 -13.74 61.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -4.63 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 126.11 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.4 p -71.4 144.45 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.59 -23.34 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.8 t -79.91 -35.67 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.7 mt-10 -60.5 -38.53 84.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.865 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.9 mt -40.4 -50.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -47.8 -58.64 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.62 -19.64 65.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 tptt -78.92 -30.88 44.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.573 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.9 mt -88.12 -44.88 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.58 -32.1 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -16.32 62.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.046 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.573 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.4 p -52.87 -34.31 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.81 -1.38 62.78 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -91.76 167.21 15.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.6 Cg_endo -74.94 149.11 36.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.0 -33.89 4.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.71 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.12 30.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.7 mt-30 -111.25 157.29 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -129.08 91.96 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG21 ' HE3' ' A' ' 43' ' ' LYS . 2.5 t -88.42 103.84 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtp -149.96 121.33 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 4.3 t80 -126.96 100.94 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 7.5 mtpt 48.06 24.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.79 157.53 8.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 142.96 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 15.3 t -107.95 114.28 60.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.03 27.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.65 -14.31 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -12.6 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -126.61 144.1 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 74' ' ' ILE . 17.2 p -81.64 169.13 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -49.45 -55.42 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -20.76 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -96.31 -39.57 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -70.69 -8.57 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 84.62 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 74' ' ' ILE . 41.5 t -126.48 151.79 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.4 p -143.44 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.451 ' HA ' HG23 ' A' ' 18' ' ' VAL . 23.2 t -68.04 105.25 1.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.43 20.08 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.613 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.82 122.22 21.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.0 mm -136.79 109.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.13 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 46' ' ' ILE . 27.8 t -131.66 155.6 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 86' ' ' GLY . 11.5 p -115.65 169.46 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 127.91 -176.5 18.01 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.03 -64.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -100.22 120.53 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.5 tt -52.4 162.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.41 131.85 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -110.82 166.18 12.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.83 8.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -103.36 -58.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -58.47 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.79 163.21 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -167.2 169.09 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.77 167.33 20.11 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -176.37 101.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.21 158.54 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.11 -167.75 33.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -146.58 131.34 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 122.38 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.11 -169.73 13.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.66 177.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.01 -164.49 11.38 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 1.3 p -169.2 121.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.75 -70.06 1.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.68 -152.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.22 154.51 51.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.55 147.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG11 HD13 ' A' ' 35' ' ' LEU . 3.1 p -91.83 150.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.472 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.2 m-20 -84.86 131.08 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 80' ' ' ALA . 39.9 mt -144.69 149.6 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -101.52 128.97 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.79 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -91.82 86.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -79.4 132.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.4 t90 -170.1 115.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 68.52 -72.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -176.69 36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.62 160.75 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -135.85 103.12 5.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' CG1' ' A' ' 22' ' ' ILE . 94.7 m-70 -105.54 105.83 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 119.95 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.017 HG11 HD13 ' A' ' 49' ' ' ILE . 15.5 m -136.08 140.05 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 6.8 pttt -104.34 114.82 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.7 m -128.36 151.64 76.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.85 42.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.84 HD13 HG11 ' A' ' 18' ' ' VAL . 3.4 tp -79.93 -2.71 44.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.89 127.83 22.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.3 p -70.78 143.16 51.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.33 -30.11 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 t -77.9 -48.72 15.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 0.812 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 mt-10 -41.68 -36.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 2.7 mt -40.4 -46.62 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD2' ' CB ' ' A' ' 54' ' ' PRO . 27.8 mmtt -47.46 -67.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.01 -19.34 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -29.87 44.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.8 mt -89.92 -46.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -55.77 -22.71 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -77.4 -16.13 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.017 HD13 HG11 ' A' ' 31' ' ' VAL . 1.1 mt -114.39 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.586 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.8 p -57.87 -31.33 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.5 5.26 55.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.73 167.56 13.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -74.99 -30.85 6.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.57 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.2 34.23 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.4 mt-30 -110.91 155.74 22.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' CB ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -127.38 91.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.55 98.85 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.9 mtp -150.19 120.81 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.9 OUTLIER -127.11 101.31 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.62 25.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.95 153.53 6.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.62 140.71 34.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.787 HG22 HD13 ' A' ' 74' ' ' ILE . 13.2 t -108.43 114.15 59.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.92 -6.67 34.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -10.85 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.55 157.43 35.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.873 ' O ' HG23 ' A' ' 74' ' ' ILE . 62.8 p -86.43 165.59 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 8.6 mt -51.0 -55.05 19.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -55.95 -19.36 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.23 -40.39 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -73.52 -4.93 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 84.59 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG13 ' A' ' 74' ' ' ILE . 39.4 t -126.48 149.04 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 p -137.36 178.24 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.445 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 24.7 p -81.56 103.92 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.65 19.13 5.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.804 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -68.53 179.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -123.77 146.64 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.7 mm -138.0 118.49 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 141.38 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.84 152.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.519 HG22 ' H ' ' A' ' 86' ' ' GLY . 1.3 p -144.14 176.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.519 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 97.82 62.08 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t -66.71 97.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.4 p -129.64 127.52 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.6 pp -111.7 122.03 65.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.9 t -154.38 -59.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.18 96.1 0.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m 63.78 84.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 t -145.77 101.64 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -158.67 131.29 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -124.46 129.45 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.6 127.31 9.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.02 156.72 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 p -166.6 169.04 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.96 -161.08 32.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.2 163.23 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.86 66.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.45 -156.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.82 -128.02 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.06 11.72 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.12 97.15 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.63 84.91 0.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 67.24 138.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.03 139.3 58.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.27 153.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.1 p -88.58 141.78 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.532 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.7 m-20 -82.27 123.07 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.5 mt -130.66 142.79 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.34 120.45 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.703 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -80.8 89.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 24.8 mm -81.64 122.32 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.0 t90 -155.94 106.41 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.43 -66.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -175.35 38.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -113.83 156.05 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.06 96.3 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -105.73 108.72 20.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 110.85 7.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HD13 ' A' ' 49' ' ' ILE . 16.3 m -123.15 141.22 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 15.7 pttt -103.81 111.82 24.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.2 m -130.58 150.76 77.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.95 34.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.1 tp -90.3 17.26 7.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.96 -8.91 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -66.14 123.53 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLU . 72.3 p -71.63 144.13 49.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -46.63 -25.34 2.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.2 t -79.78 -37.29 35.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.4 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 71' ' ' LEU . 1.9 mt -41.43 -47.02 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -44.58 -66.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -23.32 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -29.25 60.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.4 mt -92.22 -49.24 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -53.04 -39.22 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -18.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.056 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.64 -60.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.7 p -55.33 -32.56 62.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.9 52.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -94.45 167.36 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 147.62 34.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -31.12 6.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.58 67.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.9 mmm -109.0 35.35 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -109.4 154.69 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 91.89 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.15 99.92 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.8 mtp -150.08 120.9 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.6 t80 -127.08 100.94 6.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt 46.29 26.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.33 154.44 6.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.02 141.16 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.719 HG22 HD13 ' A' ' 74' ' ' ILE . 19.4 t -110.88 114.99 53.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -85.63 -20.62 29.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -15.59 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.998 ' O ' HG23 ' A' ' 74' ' ' ILE . 22.4 p -74.28 169.43 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.031 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -50.67 -61.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -26.63 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.02 -39.69 16.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.998 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -75.62 -2.9 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 82.82 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 74' ' ' ILE . 42.9 t -132.53 150.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.45 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 21.5 p -152.23 -168.15 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.419 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.477 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -80.14 109.01 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.57 23.58 4.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.626 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -91.22 118.82 30.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -72.69 153.12 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.01 104.45 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.13 132.15 36.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.54 151.02 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t -148.85 146.41 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -164.79 37.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.28 150.85 19.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -81.43 171.59 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 90' ' ' SER . 4.6 mt -135.17 -91.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 89' ' ' ILE . 5.4 p 71.56 168.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.37 173.37 32.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m 50.73 69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 31.29 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.72 122.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.32 146.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 148.98 7.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.88 123.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.764 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.36 170.04 6.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.11 -168.47 14.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.25 142.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.72 153.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.25 154.48 8.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.09 143.4 6.25 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.04 -155.32 9.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -173.44 139.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.274 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.28 79.34 1.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 67.31 141.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.63 127.68 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -55.91 150.28 13.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 8.6 p -89.57 153.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.19 110.33 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 12.2 mt -110.37 150.53 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.63 111.28 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 HG21 ' A' ' 31' ' ' VAL . 3.8 mm -75.41 87.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.23 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 10.6 t90 -171.71 108.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 -70.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.43 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.72 146.71 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -126.58 110.3 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -112.9 106.3 14.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.61 112.6 6.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HD13 ' A' ' 49' ' ' ILE . 16.0 m -123.9 140.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.34 114.87 29.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.5 m -134.16 151.89 77.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.03 148.48 35.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.633 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -75.12 -12.86 60.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -12.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 139.64 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.3 p -83.08 141.77 31.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.46 -26.05 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 38' ' ' THR . 6.4 t -77.66 -43.54 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.1 mt-10 -54.31 -35.53 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.6 mt -42.06 -48.67 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' CE ' HG23 ' A' ' 59' ' ' VAL . 24.3 mmtp -46.7 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.21 -19.36 44.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -30.42 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.657 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.5 mt -91.86 -44.6 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.28 -26.94 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -12.6 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.057 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.3 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.657 ' CG2' HG22 ' A' ' 46' ' ' ILE . 28.6 p -51.66 -35.31 41.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.77 -10.01 57.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -88.42 168.34 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.03 148.11 34.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -74.99 -29.64 8.02 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.66 -32.99 69.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mtt -104.21 29.67 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.5 mt-30 -109.09 158.73 17.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -128.55 91.84 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.484 HG23 ' CE ' ' A' ' 43' ' ' LYS . 8.8 t -84.8 103.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.9 mtp -150.23 120.77 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.21 101.38 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.22 25.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.36 155.41 6.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.73 140.92 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 74' ' ' ILE . 10.5 t -104.85 111.79 65.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.51 -15.66 51.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -9.88 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -129.24 145.7 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.959 ' O ' HG23 ' A' ' 74' ' ' ILE . 61.7 p -76.84 165.68 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -50.29 -58.37 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.612 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.35 -20.59 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -93.49 -34.33 13.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -79.95 0.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 tttp 84.09 70.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 74' ' ' ILE . 78.1 t -128.67 145.9 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.486 HG23 ' C ' ' A' ' 76' ' ' VAL . 40.2 p -155.12 -172.4 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -68.95 109.61 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.23 24.13 4.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.62 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -84.28 163.66 19.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 0.727 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 154.22 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 mm -137.94 115.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.08 134.89 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 t -128.72 158.75 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.3 p -143.54 166.03 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.55 -175.06 20.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.414 ' O ' HG22 ' A' ' 88' ' ' THR . 6.2 t -164.45 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 60.89 159.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.6 tt -51.19 167.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.9 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.28 91.86 0.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.1 4.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 159.07 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -94.66 166.76 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 59.49 159.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.26 171.28 14.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.32 -164.14 12.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -175.82 139.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.79 170.23 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.96 -161.07 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -174.09 156.82 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 174.34 10.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.88 178.07 16.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.62 -150.57 5.22 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.59 76.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.703 HG21 ' OD2' ' A' ' 36' ' ' ASP . 9.3 p -172.12 137.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.38 59.13 0.82 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -150.99 128.9 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 18.0 tt0 -58.08 114.63 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.35 147.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 35' ' ' LEU . 2.6 p -89.35 140.94 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -76.04 127.11 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.976 HD22 ' HB3' ' A' ' 80' ' ' ALA . 84.9 mt -139.98 153.95 47.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -114.65 121.6 43.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 31' ' ' VAL . 8.1 mm -85.58 88.58 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ILE . 22.2 mm -71.97 125.3 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.606 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 13.6 t90 -160.77 129.44 4.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.08 -77.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -174.61 47.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 170.88 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -136.43 97.96 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -84.63 105.88 15.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.19 109.51 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HD13 ' A' ' 49' ' ' ILE . 9.3 m -130.22 142.18 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD23 ' A' ' 17' ' ' LEU . 8.7 pttt -105.91 121.52 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.0 m -135.24 150.48 72.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.58 42.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 18' ' ' VAL . 2.9 tp -80.38 -17.39 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.703 ' OD2' HG21 ' A' ' 13' ' ' VAL . 1.7 p30 -71.82 -16.49 62.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.6 134.18 56.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.415 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.0 p -74.15 146.27 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.06 -21.32 3.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -79.36 -42.37 25.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.8 mt-10 -53.2 -32.51 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 71' ' ' LEU . 7.2 mt -44.65 -49.09 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 13.1 mptt -47.27 -60.0 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.46 -18.76 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -78.81 -28.64 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.3 mt -89.63 -44.7 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -27.47 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -14.04 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.08 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.606 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 41.1 p -54.4 -33.69 59.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.81 -32.6 4.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -68.95 168.24 16.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.05 149.64 36.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.72 8.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.92 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mtm -104.56 31.93 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 5.5 mt-30 -111.6 166.95 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.624 ' HB2' HG12 ' A' ' 85' ' ' VAL . 1.6 mttp -129.33 96.72 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.427 HG21 ' CD ' ' A' ' 43' ' ' LYS . 2.8 t -90.37 100.74 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mtp -150.13 120.79 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 t80 -127.13 100.7 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 61' ' ' TYR . 14.3 ptpt 45.59 26.54 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.13 154.09 6.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.12 141.16 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.709 HG22 HD13 ' A' ' 74' ' ' ILE . 16.2 t -109.19 114.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.53 32.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -90.73 -31.84 16.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.59 -25.94 67.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -107.77 146.37 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 74' ' ' ILE . 60.8 p -85.34 168.07 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.0 mt -48.13 -57.16 6.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -19.45 5.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 70' ' ' THR . 46.0 mt-10 -95.63 -31.13 13.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.951 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.24 1.57 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 76.04 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 74' ' ' ILE . 6.5 t -119.65 152.38 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.3 p -136.29 -175.76 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 18' ' ' VAL . 7.2 t -86.67 104.15 15.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.44 23.93 4.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.976 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -69.68 179.42 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.7 152.0 48.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ILE . 8.7 mm -136.91 106.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.99 105.02 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 46' ' ' ILE . 44.6 t -102.71 160.96 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.697 HG22 ' H ' ' A' ' 86' ' ' GLY . 2.0 p -137.42 -173.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.697 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 88.47 -177.87 45.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -172.06 143.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 t -148.5 151.14 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 96.2 mt -141.57 88.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -164.82 170.7 15.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.67 97.24 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.437 1.085 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.07 159.62 39.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.4 p -82.63 129.5 34.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.92 156.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t 67.74 156.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.74 -175.25 26.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -161.44 167.58 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.09 151.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.51 118.16 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 179.74 158.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 0.709 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.0 134.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.38 163.69 15.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.67 -121.41 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.08 149.04 24.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 137.16 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.39 -94.71 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -131.38 -151.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -88.31 119.59 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.1 mm? -42.71 150.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.4 p -89.37 142.79 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.9 m-20 -80.63 122.35 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 19' ' ' ASP . 66.8 mt -122.7 139.28 54.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.88 117.21 30.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.69 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -83.81 85.22 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.3 mm -79.0 127.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 9.5 t90 -162.77 106.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.04 -67.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 2.2 p -123.88 144.8 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 21' ' ' LYS . 1.1 ttpp -128.13 101.79 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 29' ' ' HIS . 6.7 m170 -97.19 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.572 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 102.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.97 HG11 HD13 ' A' ' 49' ' ' ILE . 16.4 m -117.22 140.08 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HD2' HD23 ' A' ' 17' ' ' LEU . 5.5 pttt -107.27 114.23 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -130.7 152.71 80.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' N ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.1 154.37 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -79.11 -15.86 57.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -23.39 62.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 148.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.4 p -89.3 140.81 29.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.15 -28.53 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 18.3 t -75.18 -49.04 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.7 mt-10 -41.63 -41.17 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -39.79 -55.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.847 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -42.35 -67.06 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -21.3 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.9 -28.84 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -93.39 -46.02 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -28.15 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -72.23 -12.56 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.97 HD13 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -114.22 -60.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.648 ' HB ' HD23 ' A' ' 52' ' ' LEU . 36.8 p -54.78 -33.94 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.96 -26.69 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.648 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -70.63 167.17 29.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.04 146.07 32.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -75.0 -29.43 8.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.27 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -26.2 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 52' ' ' LEU . 43.5 mt-30 -69.67 157.58 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -129.02 94.49 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.847 HG21 ' HD2' ' A' ' 43' ' ' LYS . 6.8 t -77.9 108.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.5 mtp -150.18 120.87 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -127.13 101.53 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt 48.93 24.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.96 155.02 6.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.95 142.37 24.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.627 HG22 HD13 ' A' ' 74' ' ' ILE . 6.2 t -105.27 107.71 59.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.75 22.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -83.48 -23.89 32.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.58 -9.92 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -129.63 136.84 50.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 1.002 ' O ' HG23 ' A' ' 74' ' ' ILE . 27.5 p -73.49 169.79 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.3 mt -52.76 -58.41 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.9 ttm180 -53.94 -19.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -93.33 -33.61 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.002 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -82.98 4.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 77.14 75.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.696 HG12 HD11 ' A' ' 35' ' ' LEU . 25.5 t -129.99 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.0 p -154.53 -169.06 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.458 ' HA ' HG23 ' A' ' 18' ' ' VAL . 54.6 p -76.66 109.13 10.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.2 7.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.69 118.94 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.1 tmmt? -69.18 144.86 53.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 81' ' ' LYS . 12.0 mm -138.3 113.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 142.85 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -122.28 133.56 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.37 157.57 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.97 175.56 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.1 m -166.79 137.98 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.0 m 56.52 96.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 90' ' ' SER . 2.3 pp -80.0 176.04 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -115.26 -60.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.0 162.03 11.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.17 8.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -57.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.38 160.26 14.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.92 147.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -175.39 152.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.5 140.62 3.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -161.29 163.43 30.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 167.99 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.96 155.59 27.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.31 149.57 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.05 144.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.8 -174.01 35.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.43 165.01 27.59 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.34 161.59 15.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.26 149.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.59 -96.93 0.63 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -139.36 -169.89 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 0.809 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -58.47 117.69 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -41.11 152.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.8 p -84.44 138.76 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.8 m-20 -78.36 115.35 18.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 80' ' ' ALA . 44.6 mt -127.04 145.38 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -107.15 114.96 29.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' CG1' HG21 ' A' ' 31' ' ' VAL . 2.7 mm -76.99 91.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 9.9 mm -79.37 142.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 50' ' ' THR . 14.3 t90 -176.04 120.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.961 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.76 -73.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 40.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.49 165.3 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 104.78 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -108.68 117.53 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.629 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -74.93 124.35 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 49' ' ' ILE . 14.0 m -139.23 139.8 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 12.8 pttt -111.41 112.13 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.798 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -127.45 152.81 77.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.92 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' VAL . 2.7 tp -80.33 -3.59 50.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -4.13 58.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 138.44 53.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . 81.2 p -78.41 149.2 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.73 -28.74 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LYS . 7.5 t -81.66 -46.83 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.83 -34.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 mt -47.02 -45.73 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' SER . 22.2 mmtp -46.31 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -58.5 -22.83 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -75.9 -32.43 59.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 84' ' ' VAL . 3.8 mt -90.15 -46.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -34.98 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -17.78 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.796 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.7 mt -113.3 -60.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.2 p -54.72 -33.19 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.25 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.18 167.47 14.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 148.83 35.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.01 -31.8 5.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.47 66.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.99 31.21 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' CG ' HD21 ' A' ' 52' ' ' LEU . 7.4 mt-30 -112.27 151.49 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 91.74 3.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.62 103.03 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mtp -150.08 120.85 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -127.14 104.44 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.6 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 149.87 163.54 11.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 140.94 56.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 74' ' ' ILE . 10.7 t -108.88 111.35 60.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.14 2.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.81 -20.55 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.84 -14.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -123.32 145.55 48.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.948 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.8 p -77.42 163.37 26.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 42' ' ' LEU . 4.3 mt -49.6 -55.53 13.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.18 -19.85 8.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -94.5 -33.19 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -78.67 0.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 78.05 75.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 74' ' ' ILE . 11.0 t -117.97 154.62 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 p -141.41 -173.62 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -84.73 105.95 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.75 24.06 4.12 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -83.66 119.83 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -70.54 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 mm -137.26 106.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.84 135.04 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 46' ' ' ILE . 37.5 t -128.36 155.83 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 86' ' ' GLY . 7.2 p -115.57 167.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.41 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 112.96 -176.41 17.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -173.73 66.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 m 45.92 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 -30.4 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -157.64 165.99 34.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.82 66.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -55.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.7 t 61.9 150.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -115.29 133.12 56.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -138.82 161.83 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.751 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.65 169.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 175.77 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.05 151.34 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 109.967 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -171.12 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.01 -61.91 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 7.4 p-10 -40.8 121.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 8' ' ' ASP . . . -179.46 159.08 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.08 154.94 9.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.89 166.98 14.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.75 94.08 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.26 168.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.41 -68.04 1.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -135.77 119.84 17.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.44 109.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.68 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -42.43 156.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 33' ' ' VAL . 7.1 p -87.67 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.3 t70 -88.86 135.36 33.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 19' ' ' ASP . 28.2 mt -142.32 146.2 34.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.74 115.76 31.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 31' ' ' VAL . 3.9 mm -79.5 89.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 19.8 mm -79.55 121.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 11.3 t90 -152.34 103.04 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.47 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' TRP . 3.7 pttt -171.23 44.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.8 p -122.07 157.03 32.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -138.15 99.23 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -105.12 105.93 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.09 106.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.009 HG11 HD13 ' A' ' 49' ' ' ILE . 16.1 m -119.39 140.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -108.2 111.45 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.838 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 m -130.23 152.46 80.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.35 32.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD13 HG11 ' A' ' 18' ' ' VAL . 3.8 tp -73.02 -16.07 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -12.21 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.3 m -63.42 141.32 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.9 p -82.03 144.91 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -44.95 -25.14 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -76.29 -43.6 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -51.64 -39.27 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.735 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.4 mt -40.94 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.883 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -43.38 -67.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.21 -20.98 63.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -77.02 -28.54 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.6 mt -92.59 -45.63 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -11.6 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.009 HD13 HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -114.13 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.614 ' HB ' HD23 ' A' ' 52' ' ' LEU . 35.9 p -55.86 -33.04 64.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.75 -30.67 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.654 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -68.98 167.4 20.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.99 146.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -75.02 -28.91 8.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.14 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 56' ' ' MET . 9.8 tpp -94.29 -34.25 12.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.654 ' CG ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-30 -60.49 163.57 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -129.07 95.23 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.883 HG21 ' HD2' ' A' ' 43' ' ' LYS . 21.4 t -77.67 102.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.7 mtp -150.06 120.68 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.27 99.96 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 50.13 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.09 151.08 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.91 142.13 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -103.57 112.28 65.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.11 16.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -81.33 -19.88 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.79 -6.18 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -132.45 138.33 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.98 ' O ' HG23 ' A' ' 74' ' ' ILE . 21.1 p -75.07 168.68 19.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD21 ' CD1' ' A' ' 42' ' ' LEU . 5.2 mt -51.08 -60.02 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.64 -41.65 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.98 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -69.27 -8.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 tmtm? 86.57 89.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 HG13 ' A' ' 74' ' ' ILE . 54.3 t -137.73 151.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -134.28 179.74 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 21.8 t -82.2 103.62 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.6 24.12 4.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.709 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.5 179.69 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -125.17 152.72 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.7 mm -138.01 112.27 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.27 132.75 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.39 141.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.65 148.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.9 -160.55 28.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.38 156.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m 57.93 167.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 90' ' ' SER . 48.3 mm 56.1 -98.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.04 150.63 20.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.79 97.65 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -178.57 93.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.5 t 62.82 142.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.36 164.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.04 167.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.93 124.09 2.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p 179.8 149.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.13 169.71 2.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.62 119.05 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 175.27 115.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.18 152.01 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 119.06 3.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.52 -144.32 9.59 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.83 -133.55 11.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.5 t -53.92 134.33 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.86 104.53 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.52 115.14 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -105.69 137.44 43.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -43.82 150.3 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 35' ' ' LEU . 4.4 p -88.06 149.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 m-20 -86.39 121.12 28.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 19' ' ' ASP . 33.1 mt -125.35 139.08 53.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 107.31 19.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 31' ' ' VAL . 14.0 mm -72.07 82.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' ILE . 3.1 mm -74.22 123.47 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.3 t90 -152.59 110.73 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.7 -77.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.76 29.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 13.0 p -112.02 157.84 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -138.1 99.65 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -98.65 117.73 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.632 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 110.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.981 HG11 HD13 ' A' ' 49' ' ' ILE . 11.2 m -130.56 142.07 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -109.11 123.17 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.9 m -137.68 152.75 73.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 30.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 18' ' ' VAL . 4.6 tp -68.22 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.72 -18.0 61.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 71' ' ' LEU . 73.7 m -54.57 128.65 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.427 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.8 p -72.45 142.41 48.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -42.11 -27.05 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 38' ' ' THR . 38.1 t -75.83 -50.24 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -42.6 -38.49 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.03 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.2 mt -41.14 -49.31 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 46.8 mmtt -44.82 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -19.93 64.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -29.97 57.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 50' ' ' THR . 5.6 mt -93.25 -47.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -55.02 -22.17 14.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.602 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.4 t -79.58 -14.03 59.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.981 HD13 HG11 ' A' ' 31' ' ' VAL . 1.4 mt -114.16 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 46' ' ' ILE . 16.5 p -53.32 -34.22 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.56 -8.46 58.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -87.38 168.08 18.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.02 147.78 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.62 70.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.0 31.24 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.78 155.95 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.13 91.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG23 ' NZ ' ' A' ' 43' ' ' LYS . 15.5 t -85.43 103.94 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.6 mtp -150.16 120.83 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.1 t80 -127.17 103.4 7.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 47.1 25.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.1 155.17 6.82 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.79 139.06 34.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -110.08 110.55 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.3 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.06 -9.91 58.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.83 -3.52 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.578 ' HB2' HG22 ' A' ' 74' ' ' ILE . 3.5 mmtp -131.11 148.45 52.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 74' ' ' ILE . 71.9 p -79.52 163.84 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 mt -54.18 -46.99 72.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -15.07 62.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.67 -40.81 8.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD13 HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -75.54 -3.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.3 mtpt 84.87 83.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 35' ' ' LEU . 54.0 t -135.04 148.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 p -149.25 -173.25 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 31.8 t -72.83 108.53 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.06 24.15 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.55 118.54 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -76.08 148.6 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 14.5 mm -136.69 104.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 126.33 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' ILE . 40.9 t -117.49 153.3 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.7 t -149.6 151.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.81 -175.47 32.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -176.81 142.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -166.43 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 89' ' ' ILE . 30.5 mm -133.61 76.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.168 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.84 153.87 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.74 115.8 1.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.14 7.66 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.95 162.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.97 133.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 t 63.24 127.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -174.09 135.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.8 152.96 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.32 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.2 171.1 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.92 171.18 15.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -158.82 126.71 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.9 143.95 26.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.64 146.68 12.81 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.9 148.06 18.42 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.15 103.23 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.17 110.04 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.34 -109.83 0.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.64 120.64 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -68.59 128.08 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -40.0 151.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 35' ' ' LEU . 3.2 p -87.2 140.31 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.74 129.82 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 70.3 mt -136.21 147.02 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -103.75 118.32 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 31' ' ' VAL . 4.7 mm -80.43 85.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -80.62 127.37 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.51 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -161.18 104.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -64.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.167 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 43.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.85 143.68 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.0 96.12 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -103.98 108.16 19.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.58 112.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.077 HG11 HD13 ' A' ' 49' ' ' ILE . 16.8 m -126.9 140.55 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 11.1 pttt -105.23 111.06 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.4 m -124.59 154.19 69.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.0 153.56 41.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.742 ' CD1' HG11 ' A' ' 18' ' ' VAL . 2.4 tp -83.75 -15.02 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -74.22 -13.93 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 149.95 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' THR . 50.1 p -88.42 144.49 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -49.46 -21.88 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -78.17 -47.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' LYS . 6.4 mt-10 -49.33 -34.58 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 71' ' ' LEU . 4.6 mt -39.68 -50.51 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.81 -65.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.75 -16.31 60.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.6 tptp -80.35 -30.63 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.677 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -93.59 -42.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -23.9 60.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -14.53 61.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.077 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.28 -60.94 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.677 ' CG2' HG22 ' A' ' 46' ' ' ILE . 34.9 p -50.41 -36.83 34.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.83 52.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -83.81 168.17 23.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.41 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -33.58 4.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.73 58.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.625 ' HG3' HD11 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -108.76 30.11 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 8.8 mt-30 -108.96 151.92 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -124.16 91.95 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 t -85.18 105.1 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mtp -150.23 120.95 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.445 ' HB2' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -127.1 102.29 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.35 24.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.35 155.53 7.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.28 140.14 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -108.91 108.97 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.45 4.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -66.21 -10.23 39.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -7.15 59.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -127.31 144.54 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 73' ' ' GLU . 67.4 p -76.02 159.42 30.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 42' ' ' LEU . 43.6 mt -48.69 -46.47 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -66.74 -23.73 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 70' ' ' THR . 16.4 mm-40 -81.02 -39.83 25.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.763 HD13 HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -79.06 -3.65 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 83.28 80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG23 HG13 ' A' ' 74' ' ' ILE . 55.1 t -127.62 145.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -139.84 -169.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.459 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.7 p -82.29 106.47 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.29 21.15 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -79.44 119.58 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 140.91 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 61' ' ' TYR . 11.5 mm -138.11 100.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -86.5 141.77 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 46' ' ' ILE . 98.9 t -128.68 158.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 56' ' ' MET . 7.8 p -109.41 165.2 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -117.09 -103.4 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.09 82.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.625 HD11 ' HG3' ' A' ' 56' ' ' MET . 2.4 mp -121.15 131.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -103.32 120.82 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.68 120.19 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.28 10.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 156.17 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 128.94 49.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -175.63 133.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 160.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.95 156.03 26.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.89 136.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -177.22 169.71 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.19 119.59 1.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.96 146.48 52.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.31 71.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.96 -142.31 12.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.87 120.93 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.72 147.44 0.29 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.85 126.33 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.7 -67.13 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -155.97 130.76 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 132.64 51.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.3 mm? -49.92 165.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.3 p -97.94 144.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.676 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 t70 -82.8 128.64 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 80' ' ' ALA . 20.1 mt -137.7 148.49 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -109.36 116.08 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG13 HD12 ' A' ' 49' ' ' ILE . 5.3 mm -85.82 92.14 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.36 117.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 18.6 t90 -139.66 43.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 163.29 -52.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.47 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -65.88 161.65 20.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 pttt -128.75 102.5 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -84.84 106.09 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.574 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.07 109.02 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.9 HG11 HD13 ' A' ' 49' ' ' ILE . 1.7 m -123.34 149.9 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -108.75 122.86 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -142.61 151.05 56.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.42 29.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 72' ' ' ARG . 4.6 tp -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 130.71 31.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 22.0 p -74.1 141.72 45.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.8 -29.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 t -80.26 -49.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.5 mt-10 -38.91 -37.34 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.8 mt -40.51 -48.28 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -44.76 -67.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -57.41 -21.19 34.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -78.48 -32.77 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CG2' ' A' ' 50' ' ' THR . 6.8 mt -89.58 -45.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -56.27 -22.8 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.1 -16.09 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.9 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.07 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.582 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.1 p -57.64 -31.66 66.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.85 5.41 51.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.0 167.43 15.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.04 147.89 34.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.02 -32.71 5.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.35 -27.98 64.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 mmt -110.03 34.13 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.427 ' HG2' HD21 ' A' ' 52' ' ' LEU . 5.9 mt-30 -109.75 154.89 22.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.77 ' CB ' HG12 ' A' ' 85' ' ' VAL . 6.1 tptt -126.21 91.93 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -85.33 98.64 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 mtp -150.13 120.82 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -127.14 101.4 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 48.76 24.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 154.83 6.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 140.0 32.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -110.76 112.44 56.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.41 4.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.568 1.825 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.23 -8.04 46.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -4.27 59.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -131.63 144.49 51.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.6 p -73.05 167.16 21.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -54.53 -56.37 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.776 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -59.28 -16.9 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -92.21 -36.39 13.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.815 HG23 ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER -83.16 4.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.84 78.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.628 HG12 HD11 ' A' ' 35' ' ' LEU . 47.2 t -133.51 147.92 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.4 p -146.6 -164.82 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.425 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.8 m -82.4 108.58 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.96 24.17 4.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.741 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -78.6 118.33 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 145.94 46.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -137.43 117.98 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -106.52 114.15 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 2.4 t -100.65 156.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.77 HG12 ' CB ' ' A' ' 58' ' ' LYS . 9.6 p -135.42 154.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.69 -155.69 22.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 p -120.86 147.76 44.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.1 m -74.06 138.66 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.28 125.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -171.98 81.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.49 97.36 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.73 5.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.78 -171.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.07 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 t -131.49 -55.88 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -173.87 143.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 m -148.47 -58.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.05 -118.41 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m 60.91 95.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.79 137.82 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 104.76 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.08 120.97 14.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.04 70.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.33 175.05 17.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.63 -112.25 2.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.94 101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.77 165.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.25 -90.03 0.41 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -154.69 131.37 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.0 127.33 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.658 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -41.78 152.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.1 p -86.62 144.67 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 20' ' ' LEU . 86.3 m-20 -83.74 120.91 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 80' ' ' ALA . 63.7 mt -130.95 143.22 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 115.48 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 2.7 mm -79.71 90.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 84' ' ' VAL . 3.4 mm -83.38 136.75 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 11.1 t90 -167.13 111.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 108.053 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.4 -75.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.28 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -121.93 158.88 28.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -137.45 103.35 5.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -102.39 108.17 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.592 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -68.31 119.8 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.99 HG11 HD13 ' A' ' 49' ' ' ILE . 6.2 m -141.1 142.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.551 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -110.23 120.85 43.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.4 m -133.99 150.54 74.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -74.64 -19.82 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -15.64 60.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.52 139.04 54.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' GLU . 54.3 p -81.51 144.73 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.25 -28.51 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.8 t -79.55 -47.33 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.4 mt-10 -38.63 -41.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.2 mt -41.45 -49.71 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' A' ' 59' ' ' VAL . 25.2 mmtp -46.42 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -62.3 -19.97 63.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -30.47 51.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.612 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.8 mt -92.92 -44.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' N ' HE22 ' A' ' 57' ' ' GLN . 0.6 OUTLIER -57.41 -25.72 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -12.14 60.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.99 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.612 ' CG2' HG22 ' A' ' 46' ' ' ILE . 20.0 p -52.52 -34.7 51.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 -11.82 55.22 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.9 168.07 21.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.98 -26.28 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.79 -25.92 65.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -5.89 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 25.5 mt-30 -79.88 151.57 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.585 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.09 91.85 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.592 HG23 ' HE3' ' A' ' 43' ' ' LYS . 20.1 t -78.52 108.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.21 120.2 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.4 OUTLIER -127.65 99.8 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt 45.85 26.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.01 151.82 5.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.9 141.07 28.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -102.17 114.22 65.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -62.91 -20.83 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.89 -12.42 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -126.11 147.93 49.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.5 p -81.48 163.46 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -48.85 -55.7 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -20.32 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.55 -36.88 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -77.47 -5.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 7.3 mtpt 85.63 92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG23 HG13 ' A' ' 74' ' ' ILE . 69.7 t -146.6 142.98 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -133.59 -173.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 p -78.73 104.09 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 114.22 23.97 4.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -77.68 121.09 23.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 139.93 58.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 mm -138.1 111.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 ttm -88.43 137.05 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 27.3 t -117.56 142.49 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.585 HG11 ' CB ' ' A' ' 58' ' ' LYS . 3.1 m -98.41 173.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.59 -155.86 7.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.0 83.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 88' ' ' THR . 10.5 t -108.82 64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.5 tt -50.42 138.4 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 107.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.23 93.5 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -77.04 127.77 33.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.7 t -141.63 -58.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -148.39 158.84 44.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.41 167.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.61 153.21 11.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.43 145.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -155.1 151.45 28.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.05 140.14 4.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t70 177.5 166.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.47 142.42 51.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.14 176.34 21.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.22 118.89 0.9 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.31 113.07 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.94 150.13 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.05 -90.13 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.0 -145.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.17 143.58 27.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.41 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.3 p -91.36 149.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.2 m-20 -83.84 136.2 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 19' ' ' ASP . 75.2 mt -143.86 146.36 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -101.68 119.87 39.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -79.63 84.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.69 120.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.2 t90 -160.47 110.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.41 -63.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 6.9 mmtt 177.52 43.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.42 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 1.6 p -123.33 150.44 43.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -133.35 93.94 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' NE2' ' HB ' ' A' ' 27' ' ' THR . 7.4 m170 -99.21 112.29 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -74.14 104.12 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.999 HG11 HD13 ' A' ' 49' ' ' ILE . 18.3 m -120.43 140.52 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 17' ' ' LEU . 35.3 pttt -106.69 112.2 25.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -125.95 153.46 73.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.59 41.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -76.55 -21.05 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -17.17 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 128.5 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' GLU . 71.1 p -73.76 147.67 43.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.31 -24.26 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -82.49 -40.14 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.3 mt-10 -58.18 -25.85 62.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 71' ' ' LEU . 5.5 mt -51.51 -45.7 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.823 ' HE2' HG23 ' A' ' 59' ' ' VAL . 1.7 mmtp -58.2 -45.19 88.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.06 -19.2 63.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -33.16 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 84' ' ' VAL . 4.4 mt -81.81 -37.14 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.451 ' N ' HE22 ' A' ' 57' ' ' GLN . 0.2 OUTLIER -61.72 -25.99 67.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -12.23 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.999 HD13 HG11 ' A' ' 31' ' ' VAL . 1.2 mt -114.36 -60.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.586 ' CG2' HG22 ' A' ' 46' ' ' ILE . 25.8 p -55.33 -32.88 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.77 -30.02 6.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -68.58 168.22 15.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.49 40.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.16 9.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.9 73.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mtm -104.57 36.58 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.451 HE22 ' N ' ' A' ' 47' ' ' HIS . 6.2 mt-30 -113.74 141.02 47.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttt -115.51 92.0 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.823 HG23 ' HE2' ' A' ' 43' ' ' LYS . 32.8 t -84.01 112.75 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 mtp -150.24 120.49 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.45 99.81 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.93 21.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.77 155.28 7.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 139.96 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HD13 ' A' ' 74' ' ' ILE . 13.0 t -107.29 119.77 49.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.5 17.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -81.48 -31.65 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -20.57 66.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -113.61 143.24 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.957 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.4 p -82.58 170.27 15.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 42' ' ' LEU . 2.0 mt -49.9 -60.42 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -49.28 -26.04 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.86 -45.74 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.957 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -67.67 -9.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 mtpm? 81.47 86.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 HG13 ' A' ' 74' ' ' ILE . 6.4 t -123.55 158.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 51.3 p -142.01 166.63 24.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.422 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 90.4 p -75.9 104.38 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.41 24.02 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.427 1.079 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -80.05 171.93 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.57 148.48 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.8 mm -138.15 102.56 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -86.22 128.54 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.601 HG21 HG21 ' A' ' 46' ' ' ILE . 58.4 t -120.09 162.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.1 p -122.19 163.6 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.55 176.37 14.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.07 90.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -153.1 138.89 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 pp -93.36 120.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -55.21 147.12 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.71 -75.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 165.37 31.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.7 m -159.64 103.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -119.91 120.67 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -171.35 168.72 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.06 169.01 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.93 -178.42 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -141.86 170.0 16.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.76 145.5 49.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.01 -144.78 7.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.62 152.01 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.4 175.25 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.49 -177.79 15.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.62 -145.61 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.2 -177.65 29.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.1 134.06 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.6 92.23 0.52 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.26 140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.32 98.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.674 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -39.96 153.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.8 p -88.12 146.29 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 m-20 -84.59 134.36 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 19' ' ' ASP . 53.3 mt -146.1 143.91 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -101.16 112.77 25.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' VAL . 16.9 mm -74.1 82.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 84' ' ' VAL . 18.3 mm -73.84 131.29 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.1 t90 -165.27 115.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.12 -75.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -171.21 40.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.97 160.62 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 101.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -103.3 112.14 24.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.82 114.01 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.053 HG11 HD13 ' A' ' 49' ' ' ILE . 11.3 m -133.91 141.64 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -109.54 119.43 39.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.9 m -132.06 151.92 79.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.48 36.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -73.59 -14.82 61.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -16.61 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.29 130.76 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 53.5 p -73.14 146.46 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.76 -25.99 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -81.24 -42.21 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' LYS . 10.6 mt-10 -47.88 -36.17 11.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.932 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.4 mt -44.12 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.737 ' CE ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.44 -60.44 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.14 -19.94 65.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -80.24 -30.78 38.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -89.05 -44.36 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -29.95 63.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -67.61 -16.02 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.053 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.3 p -53.06 -34.32 55.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.61 -0.48 60.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -91.04 167.52 15.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.5 33.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.98 -31.29 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.44 66.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.81 35.84 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -108.82 162.77 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.808 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.1 104.87 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.737 HG21 ' CE ' ' A' ' 43' ' ' LYS . 2.0 t -109.02 106.79 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -142.75 120.18 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t80 -127.69 102.54 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.82 30.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 141.3 165.11 10.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -53.81 136.75 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 74' ' ' ILE . 15.4 t -99.46 114.96 65.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.85 14.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.63 -26.98 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -30.93 69.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -102.33 158.28 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 74' ' ' ILE . 72.6 p -96.47 166.75 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.932 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -45.79 -59.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -50.37 -21.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.6 mm-40 -94.66 -33.98 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 70' ' ' THR . 0.6 OUTLIER -77.22 -8.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ILE . 1.1 mmtt 80.29 92.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 77' ' ' THR . 5.8 t -130.54 163.3 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 56.6 p -133.51 168.96 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.454 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 p -85.85 100.35 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.69 24.12 4.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -76.86 176.82 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -119.18 151.68 37.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 81' ' ' LYS . 4.9 mm -137.84 102.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.97 124.3 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 23' ' ' ILE . 21.4 t -118.93 159.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.808 HG12 ' HB2' ' A' ' 58' ' ' LYS . 2.3 p -141.82 -175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.698 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 130.18 -68.51 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.27 156.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.1 m 60.49 111.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.668 HG22 ' N ' ' A' ' 90' ' ' SER . 23.7 mt -87.07 -84.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.668 ' N ' HG22 ' A' ' 89' ' ' ILE . 29.2 t 64.02 108.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.17 155.77 17.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -70.85 141.52 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.88 99.03 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.26 127.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -175.94 162.21 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.83 149.8 5.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.8 167.44 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.954 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p -158.65 170.96 21.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.97 177.13 20.23 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -146.41 -54.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.34 170.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.63 -127.4 1.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.44 -151.26 5.88 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 13' ' ' VAL . . . 122.95 -80.24 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 12' ' ' GLY . 4.1 m 41.38 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 13' ' ' VAL . . . 106.36 -86.96 0.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.39 121.29 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -53.99 107.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -40.06 151.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.5 p -85.83 140.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.9 t0 -79.42 135.16 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 80' ' ' ALA . 94.9 mt -144.4 151.76 39.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 115.11 29.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 46' ' ' ILE . 12.4 mm -80.2 89.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.96 137.06 23.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.608 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -169.21 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.33 -63.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER 175.56 39.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.83 156.35 32.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.447 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -131.08 98.82 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -98.69 106.23 18.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.95 112.16 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.126 HG11 HD13 ' A' ' 49' ' ' ILE . 5.7 m -131.83 143.38 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -109.73 117.92 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.79 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.6 m -129.04 152.92 80.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.99 32.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.2 tp -74.44 -12.86 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.27 -15.57 60.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -59.74 145.93 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.492 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.8 p -88.76 144.14 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.94 -25.75 0.7 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -75.4 -45.19 40.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -53.03 -37.49 61.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.7 mt -40.28 -51.85 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.51 -60.17 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -19.86 65.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -29.82 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.794 HG21 HG21 ' A' ' 84' ' ' VAL . 2.4 mt -92.23 -36.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -29.29 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -11.71 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.126 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.608 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 32.3 p -51.5 -35.97 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.36 -23.07 12.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.5 168.02 31.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.86 34.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.04 -31.29 6.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.78 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.53 66.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.26 27.42 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 12.0 mt-30 -109.68 158.76 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -129.04 94.18 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG21 ' CD ' ' A' ' 43' ' ' LYS . 3.5 t -88.79 108.74 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.15 120.72 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.6 t80 -127.35 101.48 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 25.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.0 155.83 7.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 141.51 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -101.75 112.52 65.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.14 -14.04 60.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -12.49 57.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -124.98 145.78 49.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' ILE . 35.7 p -82.58 163.07 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.007 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.8 mt -43.67 -58.98 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.8 ttp85 -48.59 -30.65 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 2.3 mt-10 -84.4 -40.45 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -72.6 -5.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 81.92 86.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG23 HG13 ' A' ' 74' ' ' ILE . 47.8 t -136.73 145.82 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 p -137.85 177.39 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.434 ' CA ' HG23 ' A' ' 18' ' ' VAL . 85.3 p -74.11 104.8 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.02 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.026 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -71.97 -179.79 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.86 136.28 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.3 mm -133.15 116.28 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 141.62 28.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.794 HG21 HG21 ' A' ' 46' ' ' ILE . 99.5 t -133.6 145.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t -139.24 141.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.56 -143.56 3.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.06 -62.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 m -110.88 155.92 21.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.98 -84.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 t 66.92 88.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.15 97.08 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.417 1.746 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.5 -57.75 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.67 127.27 33.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.948 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.23 -77.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.4 172.84 8.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.47 -140.08 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.99 88.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -98.55 162.66 13.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.37 -169.2 36.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 178.28 102.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.4 177.87 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.39 98.01 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.26 -117.81 5.52 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.04 137.28 3.04 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.02 148.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -125.85 -133.43 3.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.546 ' O ' HD22 ' A' ' 17' ' ' LEU . 6.8 mttm 71.73 144.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' LEU . 10.6 pt-20 -89.28 47.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.688 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -39.8 149.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG11 HD13 ' A' ' 35' ' ' LEU . 2.9 p -87.14 139.8 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.73 118.58 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 80' ' ' ALA . 52.2 mt -128.43 145.86 50.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.55 120.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 HG21 ' A' ' 31' ' ' VAL . 4.8 mm -83.92 87.87 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -83.85 135.24 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.8 t90 -165.84 122.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 21.2 m120 62.33 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -165.98 39.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -124.29 156.12 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.24 130.89 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -135.66 121.4 19.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.96 111.42 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.062 HG11 HD13 ' A' ' 49' ' ' ILE . 14.6 m -130.9 141.53 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -103.04 117.41 34.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.648 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 m -128.42 154.18 79.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.59 42.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 HG11 ' A' ' 18' ' ' VAL . 3.6 tp -79.69 -21.77 44.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.28 -13.23 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 128.7 37.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' SER . 16.0 p -78.02 141.71 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.01 -31.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -75.41 -52.54 10.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 mt-10 -47.33 -38.15 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.029 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.0 mt -39.98 -56.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -50.2 -48.48 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -20.43 66.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -34.3 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 43' ' ' LYS . 3.9 mt -76.24 -39.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.7 t60 -59.11 -38.79 80.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -17.49 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.062 HD13 HG11 ' A' ' 31' ' ' VAL . 1.9 mt -113.67 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 ' CB ' HD23 ' A' ' 52' ' ' LEU . 27.6 p -57.72 -32.14 67.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . 75.64 -1.45 57.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -87.24 169.06 15.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.742 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 149.43 36.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.01 -35.23 3.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.5 -37.86 65.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -80.77 -38.33 28.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 43' ' ' LYS . 70.2 mt-30 -46.68 144.62 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -126.56 91.73 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.624 HG23 ' CE ' ' A' ' 43' ' ' LYS . 19.9 t -78.11 109.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtp -150.24 120.17 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -127.34 99.82 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 46.84 25.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.68 148.78 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.76 141.36 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.588 HG22 HD13 ' A' ' 74' ' ' ILE . 25.9 t -104.53 131.31 21.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 18.1 Cg_endo -75.03 128.32 11.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -81.74 -16.86 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.13 -4.19 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.28 158.51 37.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 74' ' ' ILE . 58.8 p -96.23 163.43 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.029 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.48 -61.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -28.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' THR . 4.5 mm-40 -86.59 -40.77 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -71.35 -6.72 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 83.15 80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.619 HG23 HG13 ' A' ' 74' ' ' ILE . 41.1 t -128.61 148.35 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -138.55 -174.73 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.584 ' HA ' HG23 ' A' ' 18' ' ' VAL . 2.2 m -76.22 105.78 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.08 14.96 7.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -70.5 122.63 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 144.07 47.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.5 mm -137.62 124.48 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.51 144.01 31.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 46' ' ' ILE . 34.9 t -128.02 138.29 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -132.56 151.54 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.99 -168.6 25.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 63.53 109.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.2 m -90.64 123.15 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 mt -70.83 86.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.11 151.46 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.23 132.93 7.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 79.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.2 p -172.66 169.71 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -114.55 158.93 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 132.59 10.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.3 p -169.19 126.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.82 172.33 43.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.74 -59.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 63.9 147.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.81 135.0 6.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -148.88 161.77 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.47 171.26 6.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.24 -157.33 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.29 119.97 1.8 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' VAL . . . 170.78 -96.85 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.0 m 38.92 40.05 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.28 -77.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -144.48 124.24 13.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.63 118.15 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -39.83 154.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -88.65 141.96 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.13 114.9 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 80' ' ' ALA . 43.5 mt -125.12 146.32 49.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.618 HD11 HG21 ' A' ' 31' ' ' VAL . 4.5 mm -87.76 88.06 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -79.74 130.9 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.43 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.0 t90 -161.41 111.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.06 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.83 39.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.15 149.64 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -128.19 99.52 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -93.73 123.21 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.59 113.85 19.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.043 HG11 HD13 ' A' ' 49' ' ' ILE . 15.7 m -137.45 138.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -107.11 130.97 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.785 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -144.3 152.49 54.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.48 32.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.757 HD21 ' O ' ' A' ' 76' ' ' VAL . 4.8 tp -74.24 -17.97 60.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -17.98 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -57.23 148.69 21.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . 11.7 p -88.96 142.69 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.91 -27.03 0.34 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -73.66 -47.03 42.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' THR . 17.0 mt-10 -49.27 -39.58 31.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.2 mt -40.71 -51.22 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -47.64 -62.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.82 -19.36 62.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.53 -30.13 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -90.87 -38.55 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -12.2 59.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.043 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.28 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.48 ' CG2' HG22 ' A' ' 46' ' ' ILE . 23.9 p -53.24 -34.37 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.6 -5.42 61.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -89.68 167.53 17.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.93 29.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.95 -31.53 6.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.51 64.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mmm -104.87 29.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' HD21 ' A' ' 52' ' ' LEU . 10.7 mt-30 -113.37 154.71 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' CB ' HG11 ' A' ' 85' ' ' VAL . 2.6 tmtt? -129.0 91.56 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 t -83.22 113.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.2 mtp -150.65 120.67 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.463 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.25 103.24 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 50.28 23.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.91 158.1 7.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.64 139.05 33.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 HD13 ' A' ' 74' ' ' ILE . 6.9 t -106.69 106.7 58.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.64 19.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -80.58 -15.69 55.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -3.94 50.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.51 139.9 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' ILE . 81.5 p -76.97 165.95 23.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt -50.94 -60.55 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' HG3' HD23 ' A' ' 35' ' ' LEU . 2.6 ttt-85 -55.22 -18.51 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -89.03 -43.3 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.716 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -75.86 -2.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mttt 85.4 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.757 ' O ' HD21 ' A' ' 35' ' ' LEU . 75.3 t -136.49 146.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -144.8 -173.21 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 78.8 p -76.01 107.63 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.37 23.23 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.724 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.29 121.02 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.96 145.98 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.4 mm -138.06 106.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.36 132.39 34.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 50' ' ' THR . 28.5 t -119.12 138.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.521 HG11 ' CB ' ' A' ' 58' ' ' LYS . 1.7 m -100.09 170.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.76 -168.94 13.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t 58.04 103.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.3 t -152.82 143.61 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.426 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.3 mm 44.68 73.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.36 121.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.15 -172.43 23.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.53 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.76 132.14 51.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m 47.19 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -168.49 149.79 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -176.24 165.79 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.19 121.48 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -169.62 147.22 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -173.08 166.87 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.75 103.85 0.88 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -164.79 135.34 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.63 151.12 42.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -175.05 15.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.49 169.16 40.11 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.92 155.49 26.48 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.8 t -111.94 128.64 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.36 -71.48 3.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 -167.33 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.85 115.13 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.16 150.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -82.88 147.79 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -85.46 133.42 34.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.001 HD22 ' HB3' ' A' ' 80' ' ' ALA . 88.7 mt -144.79 147.03 32.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 118.28 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 31' ' ' VAL . 4.4 mm -84.11 88.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' CG ' ' A' ' 81' ' ' LYS . 4.6 mm -80.4 132.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 15.8 t90 -163.19 106.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.965 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -73.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.37 37.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.5 p -120.7 146.28 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 104.67 8.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -104.97 105.95 16.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -70.85 105.38 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.066 HG11 HD13 ' A' ' 49' ' ' ILE . 14.0 m -126.02 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HG3' HD23 ' A' ' 17' ' ' LEU . 14.4 pttt -110.05 118.04 35.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.826 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 m -129.07 153.23 80.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 149.54 37.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.643 HD11 HG12 ' A' ' 76' ' ' VAL . 3.1 tp -72.24 -20.78 61.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.08 -12.1 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 m -59.43 128.03 35.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLU . 57.9 p -73.63 140.56 46.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -45.82 -25.11 1.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.463 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . 28.9 t -77.95 -39.17 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.746 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mt-10 -61.9 -33.5 74.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 3.8 mt -42.19 -54.48 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -46.84 -55.91 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -79.73 -31.23 41.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.1 mt -88.65 -42.62 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -30.17 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -12.32 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.066 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.23 -60.41 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.669 ' CG2' HG22 ' A' ' 46' ' ' ILE . 69.2 p -52.13 -35.6 48.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.05 -25.41 8.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -75.58 167.37 37.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 145.98 32.03 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.97 -26.5 10.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.69 -16.34 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.05 -34.74 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.577 ' OE1' HG21 ' A' ' 50' ' ' THR . 27.9 mt-30 -56.71 143.71 35.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.659 ' HB2' HG12 ' A' ' 85' ' ' VAL . 7.2 tttm -117.43 92.03 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG21 ' CD ' ' A' ' 43' ' ' LYS . 17.3 t -76.54 107.37 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 mtp -150.12 120.41 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.5 t80 -127.47 102.97 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 46.94 25.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.3 150.35 5.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 140.8 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 74' ' ' ILE . 17.5 t -102.24 115.36 64.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.8 22.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 40' ' ' SER . 35.1 mt-10 -82.61 -31.48 28.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -24.96 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -113.3 138.49 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.961 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.6 p -79.72 169.05 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 15.3 mt -46.92 -58.87 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -50.89 -21.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' THR . 8.5 mm-40 -95.06 -31.68 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.14 1.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 76.04 74.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 HG13 ' A' ' 74' ' ' ILE . 7.6 t -117.74 152.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.2 p -137.45 177.16 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.4 t -80.43 103.43 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.48 20.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.001 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -65.99 -179.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.62 149.28 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.6 mm -138.11 116.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 130.48 42.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 57' ' ' GLN . 26.0 t -123.48 146.97 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.7 p -137.55 174.73 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.511 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 127.97 -90.4 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 72.07 66.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 90' ' ' SER . 13.0 t -170.15 148.1 3.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.91 -34.56 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 88' ' ' THR . 0.1 OUTLIER 39.44 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.72 121.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.72 10.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.561 1.821 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -131.18 120.81 23.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 m -164.5 88.71 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.28 143.8 20.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.13 112.44 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.63 69.06 0.22 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.64 106.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -164.47 125.61 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 118.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.95 -55.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.53 170.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.64 144.26 6.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.32 -149.02 17.01 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.52 178.95 19.25 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.67 137.3 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.36 -79.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -141.98 123.87 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.85 121.44 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.14 151.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -83.12 151.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.489 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.0 t0 -88.4 122.21 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 47.7 mt -136.27 144.28 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -106.08 129.35 54.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 31' ' ' VAL . 5.3 mm -87.86 85.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' HG2' ' A' ' 28' ' ' LYS . 14.9 mm -77.45 120.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 16.6 t90 -152.88 109.63 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.11 -71.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.92 36.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.0 p -117.3 152.86 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HG2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -136.09 96.57 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.36 109.13 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 102.98 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.985 HG11 HD13 ' A' ' 49' ' ' ILE . 18.9 m -118.08 141.96 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.1 ptmt -108.92 111.39 23.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 m -129.83 151.53 78.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.58 33.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 HG12 ' A' ' 76' ' ' VAL . 3.7 tp -66.66 -17.94 65.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.53 -13.65 53.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB2' HD12 ' A' ' 71' ' ' LEU . 71.8 m -59.62 122.28 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLU . 28.8 p -75.74 142.74 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.654 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -43.52 -26.34 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -77.87 -46.05 22.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.947 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' THR . 49.2 mt-10 -55.77 -36.59 67.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 71' ' ' LEU . 7.9 mt -40.32 -46.56 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 60.0 mmtt -48.49 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -14.39 54.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.84 29.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.596 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.0 mt -91.45 -39.27 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -24.21 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -13.02 60.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.985 HD13 HG11 ' A' ' 31' ' ' VAL . 1.3 mt -114.18 -62.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.665 ' CB ' HD23 ' A' ' 52' ' ' LEU . 78.1 p -52.94 -35.36 58.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 -23.03 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -72.55 167.8 29.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.02 142.78 28.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -75.05 -27.98 9.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.74 -22.9 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -18.21 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CG ' HD11 ' A' ' 52' ' ' LEU . 45.2 mt-30 -74.37 157.2 36.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.94 92.78 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.26 108.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 mtp -150.27 120.18 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.49 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.57 102.86 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.056 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt 44.11 27.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 153.19 150.3 5.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.72 139.32 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 11.7 t -109.42 109.05 60.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.32 7.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.84 -5.61 31.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.26 -19.88 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.92 142.98 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.8 p -77.41 164.08 25.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 42' ' ' LEU . 20.3 mt -52.34 -48.95 65.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HG3' HD23 ' A' ' 35' ' ' LEU . 5.5 ttm180 -64.87 -15.68 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.1 -36.34 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.684 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -82.88 6.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.59 81.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.674 HG12 HD11 ' A' ' 35' ' ' LEU . 39.2 t -132.6 152.28 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 10.9 p -154.78 -177.39 6.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.442 ' CA ' HG23 ' A' ' 18' ' ' VAL . 35.7 p -70.6 110.31 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.28 24.16 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -94.26 120.53 34.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 152.58 42.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.6 mm -137.01 107.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 138.63 35.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' ILE . 6.1 t -125.69 156.51 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -137.92 148.46 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.499 ' HA3' HD13 ' A' ' 52' ' ' LEU . . . 155.96 179.0 30.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 86' ' ' GLY . 0.6 OUTLIER 84.22 104.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 0.78 . . . . 0.0 110.014 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.45 102.77 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 89' ' ' ILE . 3.6 mt 51.98 76.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.37 169.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.32 169.31 31.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 167.63 26.62 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.09 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -160.25 137.27 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -165.99 168.09 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.69 163.05 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.2 -128.05 1.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 63.72 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -168.98 156.08 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.08 129.87 3.3 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -176.33 138.31 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.96 150.41 22.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.89 166.4 10.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.23 -164.17 35.24 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 56.26 -143.83 37.28 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -81.99 158.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.36 145.46 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -137.34 -168.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' LEU . 1.4 tt0 -59.22 116.82 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.657 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.2 156.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.926 HG11 HD13 ' A' ' 35' ' ' LEU . 2.4 p -96.21 141.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.522 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -76.81 129.65 36.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.075 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.6 mt -142.53 152.52 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.95 128.91 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mm -94.41 119.42 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 22' ' ' ILE . 2.9 mm -114.99 130.55 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.602 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 17.5 t90 -159.0 34.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 107.968 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER 166.14 -45.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 5.9 mttm 163.53 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.2 p -54.56 161.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -125.34 94.07 4.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.97 105.96 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 114.74 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 49' ' ' ILE . 5.1 m -133.05 144.45 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.75 126.69 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.0 m -140.74 152.63 66.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.89 41.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.926 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -83.65 -14.93 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -10.69 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -66.61 137.17 56.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 16.8 p -72.13 141.2 49.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.0 -26.5 0.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -76.06 -44.75 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HG ' HD21 ' A' ' 71' ' ' LEU . 3.7 mt -40.84 -49.98 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 59' ' ' VAL . 7.2 mptt -48.3 -56.3 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -65.98 -21.45 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -81.41 -28.7 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 84' ' ' VAL . 2.8 mt -91.36 -40.88 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -20.74 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -19.04 60.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.759 HD13 HG11 ' A' ' 31' ' ' VAL . 2.4 mt -109.37 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.717 ' CG2' HG22 ' A' ' 46' ' ' ILE . 76.7 p -47.19 -38.39 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.68 53.42 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -85.2 168.18 21.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 147.36 34.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.07 -29.07 8.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.59 33.72 3.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 6.1 mt-30 -112.78 152.69 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.698 ' CB ' HG12 ' A' ' 85' ' ' VAL . 1.3 tttp -125.31 91.95 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 43' ' ' LYS . 2.9 t -87.91 112.34 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.6 mtp -150.34 120.8 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -127.15 101.07 6.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt 46.94 25.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 148.65 153.6 6.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.11 140.49 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG22 HD13 ' A' ' 74' ' ' ILE . 14.7 t -100.2 113.36 65.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.95 -14.96 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.03 0.79 46.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -136.48 150.34 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.865 ' O ' HG23 ' A' ' 74' ' ' ILE . 69.5 p -84.91 165.04 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 mt -47.87 -56.72 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttm180 -53.75 -19.55 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.5 mm-40 -94.88 -36.34 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -76.64 -1.95 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 80.61 77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.628 HG23 HG13 ' A' ' 74' ' ' ILE . 23.0 t -122.37 150.68 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.1 p -137.5 -178.02 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 18' ' ' VAL . 14.5 t -84.08 104.26 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.34 19.38 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.075 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -61.26 -179.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.57 138.18 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.52 126.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.73 117.87 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.93 HG21 HG21 ' A' ' 46' ' ' ILE . 92.3 t -108.36 158.13 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.698 HG12 ' CB ' ' A' ' 58' ' ' LYS . 3.3 p -143.45 168.85 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 100.58 138.77 10.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m -123.18 120.57 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 m -140.72 117.39 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -85.69 105.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.34 -64.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.66 97.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -97.05 -61.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.22 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.27 151.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG11 HD13 ' A' ' 35' ' ' LEU . 3.4 p -93.13 141.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.85 128.63 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 80' ' ' ALA . 65.3 mt -131.43 149.56 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.14 118.57 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.728 HD11 HG21 ' A' ' 31' ' ' VAL . 7.0 mm -83.46 87.99 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 21' ' ' LYS . 7.0 mm -82.13 125.61 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.3 t90 -161.89 113.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.18 -68.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -116.93 155.78 28.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -136.72 102.02 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -108.56 119.16 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -82.72 108.56 16.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HD13 ' A' ' 49' ' ' ILE . 15.9 m -120.31 140.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 pttt -105.43 111.35 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.4 m -127.15 152.81 76.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.63 33.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD13 HG11 ' A' ' 18' ' ' VAL . 4.3 tp -71.49 -13.74 61.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -4.63 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 126.11 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.4 p -71.4 144.45 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.59 -23.34 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.8 t -79.91 -35.67 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.7 mt-10 -60.5 -38.53 84.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.865 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.9 mt -40.4 -50.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -47.8 -58.64 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.62 -19.64 65.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 tptt -78.92 -30.88 44.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.573 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.9 mt -88.12 -44.88 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -32.1 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -16.32 62.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.046 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.573 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.4 p -52.87 -34.31 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.81 -1.38 62.78 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -91.76 167.21 15.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.6 Cg_endo -74.94 149.11 36.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.0 -33.89 4.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.71 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.12 30.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.7 mt-30 -111.25 157.29 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -129.08 91.96 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG21 ' HE3' ' A' ' 43' ' ' LYS . 2.5 t -88.42 103.84 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtp -149.96 121.33 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 4.3 t80 -126.96 100.94 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 7.5 mtpt 48.06 24.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.79 157.53 8.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 142.96 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 15.3 t -107.95 114.28 60.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.03 27.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.65 -14.31 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -12.6 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -126.61 144.1 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 74' ' ' ILE . 17.2 p -81.64 169.13 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -49.45 -55.42 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -20.76 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -96.31 -39.57 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -70.69 -8.57 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 84.62 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 74' ' ' ILE . 41.5 t -126.48 151.79 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.4 p -143.44 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.451 ' HA ' HG23 ' A' ' 18' ' ' VAL . 23.2 t -68.04 105.25 1.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.43 20.08 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.613 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.82 122.22 21.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.0 mm -136.79 109.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.13 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 46' ' ' ILE . 27.8 t -131.66 155.6 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 11.5 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.55 147.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.84 HG11 HD13 ' A' ' 35' ' ' LEU . 3.1 p -91.83 150.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.472 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.2 m-20 -84.86 131.08 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 80' ' ' ALA . 39.9 mt -144.69 149.6 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -101.52 128.97 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.79 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -91.82 86.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -79.4 132.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.4 t90 -170.1 115.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 68.52 -72.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -176.69 36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.62 160.75 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -135.85 103.12 5.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' CG1' ' A' ' 22' ' ' ILE . 94.7 m-70 -105.54 105.83 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 119.95 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.017 HG11 HD13 ' A' ' 49' ' ' ILE . 15.5 m -136.08 140.05 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 6.8 pttt -104.34 114.82 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.7 m -128.36 151.64 76.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.85 42.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.84 HD13 HG11 ' A' ' 18' ' ' VAL . 3.4 tp -79.93 -2.71 44.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.89 127.83 22.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.3 p -70.78 143.16 51.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.33 -30.11 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 t -77.9 -48.72 15.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 0.812 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 mt-10 -41.68 -36.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 2.7 mt -40.4 -46.62 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD2' ' CB ' ' A' ' 54' ' ' PRO . 27.8 mmtt -47.46 -67.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.01 -19.34 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -29.87 44.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.8 mt -89.92 -46.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -55.77 -22.71 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -77.4 -16.13 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.017 HD13 HG11 ' A' ' 31' ' ' VAL . 1.1 mt -114.39 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.586 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.8 p -57.87 -31.33 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.5 5.26 55.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.73 167.56 13.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -74.99 -30.85 6.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.57 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.2 34.23 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.4 mt-30 -110.91 155.74 22.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.484 ' CB ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -127.38 91.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.55 98.85 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.9 mtp -150.19 120.81 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.9 OUTLIER -127.11 101.31 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.62 25.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.95 153.53 6.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.62 140.71 34.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.787 HG22 HD13 ' A' ' 74' ' ' ILE . 13.2 t -108.43 114.15 59.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.92 -6.67 34.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -10.85 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.55 157.43 35.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.873 ' O ' HG23 ' A' ' 74' ' ' ILE . 62.8 p -86.43 165.59 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 8.6 mt -51.0 -55.05 19.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -55.95 -19.36 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.23 -40.39 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -73.52 -4.93 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 84.59 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG13 ' A' ' 74' ' ' ILE . 39.4 t -126.48 149.04 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 p -137.36 178.24 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.445 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 24.7 p -81.56 103.92 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.65 19.13 5.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.804 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -68.53 179.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -123.77 146.64 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.7 mm -138.0 118.49 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 141.38 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.84 152.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' CB ' ' A' ' 58' ' ' LYS . 1.3 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.27 153.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.1 p -88.58 141.78 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.532 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.7 m-20 -82.27 123.07 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.5 mt -130.66 142.79 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.34 120.45 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.703 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -80.8 89.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 24.8 mm -81.64 122.32 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.0 t90 -155.94 106.41 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.43 -66.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -175.35 38.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -113.83 156.05 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.06 96.3 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -105.73 108.72 20.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 110.85 7.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HD13 ' A' ' 49' ' ' ILE . 16.3 m -123.15 141.22 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 15.7 pttt -103.81 111.82 24.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.2 m -130.58 150.76 77.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.95 34.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.1 tp -90.3 17.26 7.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.96 -8.91 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -66.14 123.53 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLU . 72.3 p -71.63 144.13 49.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -46.63 -25.34 2.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.2 t -79.78 -37.29 35.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.4 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 71' ' ' LEU . 1.9 mt -41.43 -47.02 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -44.58 -66.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -23.32 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -29.25 60.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.4 mt -92.22 -49.24 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -53.04 -39.22 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -18.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.056 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.64 -60.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.7 p -55.33 -32.56 62.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.9 52.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -94.45 167.36 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 147.62 34.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -31.12 6.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.58 67.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.9 mmm -109.0 35.35 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -109.4 154.69 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 91.89 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.15 99.92 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.8 mtp -150.08 120.9 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.6 t80 -127.08 100.94 6.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt 46.29 26.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.33 154.44 6.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.02 141.16 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.719 HG22 HD13 ' A' ' 74' ' ' ILE . 19.4 t -110.88 114.99 53.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -85.63 -20.62 29.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -15.59 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.998 ' O ' HG23 ' A' ' 74' ' ' ILE . 22.4 p -74.28 169.43 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.031 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -50.67 -61.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -26.63 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.02 -39.69 16.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.998 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -75.62 -2.9 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 82.82 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 74' ' ' ILE . 42.9 t -132.53 150.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.45 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 21.5 p -152.23 -168.15 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.419 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.477 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -80.14 109.01 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.57 23.58 4.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.626 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -91.22 118.82 30.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -72.69 153.12 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.01 104.45 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.13 132.15 36.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.54 151.02 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -55.91 150.28 13.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 8.6 p -89.57 153.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.19 110.33 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 12.2 mt -110.37 150.53 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.63 111.28 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 HG21 ' A' ' 31' ' ' VAL . 3.8 mm -75.41 87.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.23 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 10.6 t90 -171.71 108.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 -70.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.43 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.72 146.71 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -126.58 110.3 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -112.9 106.3 14.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.61 112.6 6.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HD13 ' A' ' 49' ' ' ILE . 16.0 m -123.9 140.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.34 114.87 29.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.5 m -134.16 151.89 77.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.03 148.48 35.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.633 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -75.12 -12.86 60.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -12.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 139.64 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.3 p -83.08 141.77 31.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.46 -26.05 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 38' ' ' THR . 6.4 t -77.66 -43.54 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.1 mt-10 -54.31 -35.53 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.6 mt -42.06 -48.67 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' CE ' HG23 ' A' ' 59' ' ' VAL . 24.3 mmtp -46.7 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.21 -19.36 44.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -30.42 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.657 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.5 mt -91.86 -44.6 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -26.94 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -12.6 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.057 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.3 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.657 ' CG2' HG22 ' A' ' 46' ' ' ILE . 28.6 p -51.66 -35.31 41.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.77 -10.01 57.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -88.42 168.34 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.03 148.11 34.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -74.99 -29.64 8.02 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.66 -32.99 69.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mtt -104.21 29.67 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.5 mt-30 -109.09 158.73 17.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -128.55 91.84 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.484 HG23 ' CE ' ' A' ' 43' ' ' LYS . 8.8 t -84.8 103.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.9 mtp -150.23 120.77 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.21 101.38 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.22 25.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.36 155.41 6.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.73 140.92 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 74' ' ' ILE . 10.5 t -104.85 111.79 65.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.51 -15.66 51.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -9.88 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -129.24 145.7 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.959 ' O ' HG23 ' A' ' 74' ' ' ILE . 61.7 p -76.84 165.68 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -50.29 -58.37 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.612 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.35 -20.59 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -93.49 -34.33 13.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -79.95 0.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 tttp 84.09 70.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 74' ' ' ILE . 78.1 t -128.67 145.9 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.486 HG23 ' C ' ' A' ' 76' ' ' VAL . 40.2 p -155.12 -172.4 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -68.95 109.61 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.23 24.13 4.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.62 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -84.28 163.66 19.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 0.727 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 154.22 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 mm -137.94 115.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.08 134.89 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 t -128.72 158.75 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.3 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 18.0 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.35 147.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 35' ' ' LEU . 2.6 p -89.35 140.94 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -76.04 127.11 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.976 HD22 ' HB3' ' A' ' 80' ' ' ALA . 84.9 mt -139.98 153.95 47.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -114.65 121.6 43.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 31' ' ' VAL . 8.1 mm -85.58 88.58 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ILE . 22.2 mm -71.97 125.3 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.606 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 13.6 t90 -160.77 129.44 4.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.08 -77.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -174.61 47.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 170.88 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -136.43 97.96 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.63 105.88 15.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.19 109.51 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HD13 ' A' ' 49' ' ' ILE . 9.3 m -130.22 142.18 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD23 ' A' ' 17' ' ' LEU . 8.7 pttt -105.91 121.52 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.0 m -135.24 150.48 72.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.58 42.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 18' ' ' VAL . 2.9 tp -80.38 -17.39 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.82 -16.49 62.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.6 134.18 56.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.415 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.0 p -74.15 146.27 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.06 -21.32 3.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -79.36 -42.37 25.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.8 mt-10 -53.2 -32.51 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 71' ' ' LEU . 7.2 mt -44.65 -49.09 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 13.1 mptt -47.27 -60.0 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.46 -18.76 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -78.81 -28.64 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.3 mt -89.63 -44.7 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.51 -27.47 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -14.04 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.08 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.606 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 41.1 p -54.4 -33.69 59.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.81 -32.6 4.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -68.95 168.24 16.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.05 149.64 36.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.72 8.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.92 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mtm -104.56 31.93 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 5.5 mt-30 -111.6 166.95 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.624 ' HB2' HG12 ' A' ' 85' ' ' VAL . 1.6 mttp -129.33 96.72 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.427 HG21 ' CD ' ' A' ' 43' ' ' LYS . 2.8 t -90.37 100.74 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mtp -150.13 120.79 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 t80 -127.13 100.7 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 61' ' ' TYR . 14.3 ptpt 45.59 26.54 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.13 154.09 6.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.12 141.16 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.709 HG22 HD13 ' A' ' 74' ' ' ILE . 16.2 t -109.19 114.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.53 32.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -90.73 -31.84 16.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.59 -25.94 67.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -107.77 146.37 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 74' ' ' ILE . 60.8 p -85.34 168.07 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.0 mt -48.13 -57.16 6.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -19.45 5.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 70' ' ' THR . 46.0 mt-10 -95.63 -31.13 13.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.951 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.24 1.57 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 76.04 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 74' ' ' ILE . 6.5 t -119.65 152.38 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.3 p -136.29 -175.76 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 18' ' ' VAL . 7.2 t -86.67 104.15 15.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.44 23.93 4.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.976 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -69.68 179.42 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.7 152.0 48.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ILE . 8.7 mm -136.91 106.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.99 105.02 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 46' ' ' ILE . 44.6 t -102.71 160.96 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 58' ' ' LYS . 2.0 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.1 mm? -42.71 150.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.4 p -89.37 142.79 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.9 m-20 -80.63 122.35 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 19' ' ' ASP . 66.8 mt -122.7 139.28 54.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.88 117.21 30.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.69 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -83.81 85.22 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.3 mm -79.0 127.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 9.5 t90 -162.77 106.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.04 -67.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 2.2 p -123.88 144.8 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 21' ' ' LYS . 1.1 ttpp -128.13 101.79 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 29' ' ' HIS . 6.7 m170 -97.19 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.572 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 102.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.97 HG11 HD13 ' A' ' 49' ' ' ILE . 16.4 m -117.22 140.08 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HD2' HD23 ' A' ' 17' ' ' LEU . 5.5 pttt -107.27 114.23 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -130.7 152.71 80.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' N ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.1 154.37 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -79.11 -15.86 57.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -23.39 62.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 148.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.4 p -89.3 140.81 29.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.15 -28.53 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 18.3 t -75.18 -49.04 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.7 mt-10 -41.63 -41.17 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -39.79 -55.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.847 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -42.35 -67.06 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -21.3 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.9 -28.84 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -93.39 -46.02 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -28.15 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -72.23 -12.56 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.97 HD13 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -114.22 -60.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.648 ' HB ' HD23 ' A' ' 52' ' ' LEU . 36.8 p -54.78 -33.94 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.96 -26.69 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.648 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -70.63 167.17 29.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.04 146.07 32.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -75.0 -29.43 8.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.27 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -26.2 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 52' ' ' LEU . 43.5 mt-30 -69.67 157.58 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -129.02 94.49 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.847 HG21 ' HD2' ' A' ' 43' ' ' LYS . 6.8 t -77.9 108.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.5 mtp -150.18 120.87 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -127.13 101.53 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt 48.93 24.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.96 155.02 6.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.95 142.37 24.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.627 HG22 HD13 ' A' ' 74' ' ' ILE . 6.2 t -105.27 107.71 59.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.75 22.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -83.48 -23.89 32.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.58 -9.92 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -129.63 136.84 50.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 1.002 ' O ' HG23 ' A' ' 74' ' ' ILE . 27.5 p -73.49 169.79 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.3 mt -52.76 -58.41 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.9 ttm180 -53.94 -19.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -93.33 -33.61 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 1.002 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -82.98 4.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 77.14 75.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.696 HG12 HD11 ' A' ' 35' ' ' LEU . 25.5 t -129.99 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.0 p -154.53 -169.06 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.458 ' HA ' HG23 ' A' ' 18' ' ' VAL . 54.6 p -76.66 109.13 10.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.2 7.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.69 118.94 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.1 tmmt? -69.18 144.86 53.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 81' ' ' LYS . 12.0 mm -138.3 113.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 142.85 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -122.28 133.56 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -41.11 152.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.8 p -84.44 138.76 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.8 m-20 -78.36 115.35 18.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 80' ' ' ALA . 44.6 mt -127.04 145.38 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -107.15 114.96 29.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' CG1' HG21 ' A' ' 31' ' ' VAL . 2.7 mm -76.99 91.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 9.9 mm -79.37 142.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 50' ' ' THR . 14.3 t90 -176.04 120.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.961 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.76 -73.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 40.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.49 165.3 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 104.78 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -108.68 117.53 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.629 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -74.93 124.35 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 49' ' ' ILE . 14.0 m -139.23 139.8 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 12.8 pttt -111.41 112.13 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.798 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -127.45 152.81 77.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.92 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' VAL . 2.7 tp -80.33 -3.59 50.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -4.13 58.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 138.44 53.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . 81.2 p -78.41 149.2 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.73 -28.74 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LYS . 7.5 t -81.66 -46.83 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.83 -34.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 mt -47.02 -45.73 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' SER . 22.2 mmtp -46.31 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -58.5 -22.83 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -75.9 -32.43 59.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 84' ' ' VAL . 3.8 mt -90.15 -46.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -34.98 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -17.78 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.796 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.7 mt -113.3 -60.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.2 p -54.72 -33.19 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.25 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.18 167.47 14.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 148.83 35.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.01 -31.8 5.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.47 66.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.99 31.21 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' CG ' HD21 ' A' ' 52' ' ' LEU . 7.4 mt-30 -112.27 151.49 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 91.74 3.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.62 103.03 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mtp -150.08 120.85 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -127.14 104.44 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.6 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 149.87 163.54 11.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 140.94 56.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 74' ' ' ILE . 10.7 t -108.88 111.35 60.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.14 2.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.81 -20.55 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.84 -14.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -123.32 145.55 48.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.948 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.8 p -77.42 163.37 26.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 42' ' ' LEU . 4.3 mt -49.6 -55.53 13.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.18 -19.85 8.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -94.5 -33.19 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -78.67 0.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 78.05 75.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 74' ' ' ILE . 11.0 t -117.97 154.62 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 p -141.41 -173.62 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -84.73 105.95 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.75 24.06 4.12 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -83.66 119.83 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -70.54 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 mm -137.26 106.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.84 135.04 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 46' ' ' ILE . 37.5 t -128.36 155.83 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.68 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -42.43 156.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 33' ' ' VAL . 7.1 p -87.67 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.3 t70 -88.86 135.36 33.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 19' ' ' ASP . 28.2 mt -142.32 146.2 34.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.74 115.76 31.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 31' ' ' VAL . 3.9 mm -79.5 89.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 19.8 mm -79.55 121.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 11.3 t90 -152.34 103.04 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.47 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' TRP . 3.7 pttt -171.23 44.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.8 p -122.07 157.03 32.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -138.15 99.23 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -105.12 105.93 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.09 106.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.009 HG11 HD13 ' A' ' 49' ' ' ILE . 16.1 m -119.39 140.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -108.2 111.45 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.838 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 m -130.23 152.46 80.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.35 32.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.731 HD13 HG11 ' A' ' 18' ' ' VAL . 3.8 tp -73.02 -16.07 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -12.21 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.3 m -63.42 141.32 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.9 p -82.03 144.91 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -44.95 -25.14 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -76.29 -43.6 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -51.64 -39.27 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.735 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.4 mt -40.94 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.883 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -43.38 -67.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.21 -20.98 63.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -77.02 -28.54 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.6 mt -92.59 -45.63 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -11.6 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.009 HD13 HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -114.13 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.614 ' HB ' HD23 ' A' ' 52' ' ' LEU . 35.9 p -55.86 -33.04 64.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.75 -30.67 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.654 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -68.98 167.4 20.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.99 146.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -75.02 -28.91 8.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.14 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 56' ' ' MET . 9.8 tpp -94.29 -34.25 12.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.654 ' CG ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-30 -60.49 163.57 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -129.07 95.23 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.883 HG21 ' HD2' ' A' ' 43' ' ' LYS . 21.4 t -77.67 102.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.7 mtp -150.06 120.68 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.27 99.96 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 50.13 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.09 151.08 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.91 142.13 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -103.57 112.28 65.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.11 16.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -81.33 -19.88 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.79 -6.18 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -132.45 138.33 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.98 ' O ' HG23 ' A' ' 74' ' ' ILE . 21.1 p -75.07 168.68 19.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD21 ' CD1' ' A' ' 42' ' ' LEU . 5.2 mt -51.08 -60.02 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.64 -41.65 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.98 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -69.27 -8.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 tmtm? 86.57 89.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 HG13 ' A' ' 74' ' ' ILE . 54.3 t -137.73 151.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -134.28 179.74 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 21.8 t -82.2 103.62 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.6 24.12 4.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.709 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.5 179.69 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -125.17 152.72 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.7 mm -138.01 112.27 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.27 132.75 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.39 141.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.672 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -43.82 150.3 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 35' ' ' LEU . 4.4 p -88.06 149.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 m-20 -86.39 121.12 28.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 19' ' ' ASP . 33.1 mt -125.35 139.08 53.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 107.31 19.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 31' ' ' VAL . 14.0 mm -72.07 82.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 84' ' ' VAL . 3.1 mm -74.22 123.47 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.3 t90 -152.59 110.73 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.7 -77.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.76 29.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 13.0 p -112.02 157.84 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -138.1 99.65 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -98.65 117.73 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.632 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 110.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.981 HG11 HD13 ' A' ' 49' ' ' ILE . 11.2 m -130.56 142.07 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -109.11 123.17 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.9 m -137.68 152.75 73.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 30.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 18' ' ' VAL . 4.6 tp -68.22 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.72 -18.0 61.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 71' ' ' LEU . 73.7 m -54.57 128.65 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.427 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.8 p -72.45 142.41 48.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -42.11 -27.05 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 38' ' ' THR . 38.1 t -75.83 -50.24 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -42.6 -38.49 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.03 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.2 mt -41.14 -49.31 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 46.8 mmtt -44.82 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -19.93 64.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -29.97 57.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 50' ' ' THR . 5.6 mt -93.25 -47.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 1.9 t-80 -55.02 -22.17 14.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.4 t -79.58 -14.03 59.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.981 HD13 HG11 ' A' ' 31' ' ' VAL . 1.4 mt -114.16 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 46' ' ' ILE . 16.5 p -53.32 -34.22 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.56 -8.46 58.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -87.38 168.08 18.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.02 147.78 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.62 70.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.0 31.24 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.78 155.95 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.13 91.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG23 ' NZ ' ' A' ' 43' ' ' LYS . 15.5 t -85.43 103.94 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.6 mtp -150.16 120.83 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.1 t80 -127.17 103.4 7.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 47.1 25.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.1 155.17 6.82 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.79 139.06 34.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -110.08 110.55 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.3 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.06 -9.91 58.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.83 -3.52 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.578 ' HB2' HG22 ' A' ' 74' ' ' ILE . 3.5 mmtp -131.11 148.45 52.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 74' ' ' ILE . 71.9 p -79.52 163.84 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 mt -54.18 -46.99 72.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -15.07 62.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.67 -40.81 8.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD13 HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -75.54 -3.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.3 mtpt 84.87 83.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 35' ' ' LEU . 54.0 t -135.04 148.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 p -149.25 -173.25 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 31.8 t -72.83 108.53 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.06 24.15 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.55 118.54 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -76.08 148.6 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 14.5 mm -136.69 104.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 126.33 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' ILE . 40.9 t -117.49 153.3 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -40.0 151.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 35' ' ' LEU . 3.2 p -87.2 140.31 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.74 129.82 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 70.3 mt -136.21 147.02 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -103.75 118.32 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 31' ' ' VAL . 4.7 mm -80.43 85.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -80.62 127.37 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.51 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -161.18 104.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -64.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.167 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 43.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.85 143.68 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.0 96.12 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -103.98 108.16 19.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.58 112.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.077 HG11 HD13 ' A' ' 49' ' ' ILE . 16.8 m -126.9 140.55 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 11.1 pttt -105.23 111.06 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.4 m -124.59 154.19 69.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.0 153.56 41.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.742 ' CD1' HG11 ' A' ' 18' ' ' VAL . 2.4 tp -83.75 -15.02 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -74.22 -13.93 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 149.95 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' THR . 50.1 p -88.42 144.49 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -49.46 -21.88 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -78.17 -47.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' LYS . 6.4 mt-10 -49.33 -34.58 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 71' ' ' LEU . 4.6 mt -39.68 -50.51 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.81 -65.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.75 -16.31 60.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.6 tptp -80.35 -30.63 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.677 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -93.59 -42.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -23.9 60.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -14.53 61.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.077 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.28 -60.94 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.677 ' CG2' HG22 ' A' ' 46' ' ' ILE . 34.9 p -50.41 -36.83 34.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.83 52.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -83.81 168.17 23.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.41 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -33.58 4.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.73 58.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.494 ' O ' HG13 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -108.76 30.11 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 8.8 mt-30 -108.96 151.92 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -124.16 91.95 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 t -85.18 105.1 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mtp -150.23 120.95 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.445 ' HB2' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -127.1 102.29 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.35 24.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.35 155.53 7.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.28 140.14 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -108.91 108.97 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.45 4.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -66.21 -10.23 39.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -7.15 59.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -127.31 144.54 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 73' ' ' GLU . 67.4 p -76.02 159.42 30.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 42' ' ' LEU . 43.6 mt -48.69 -46.47 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -66.74 -23.73 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 70' ' ' THR . 16.4 mm-40 -81.02 -39.83 25.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.763 HD13 HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -79.06 -3.65 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 83.28 80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.659 HG23 HG13 ' A' ' 74' ' ' ILE . 55.1 t -127.62 145.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -139.84 -169.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.459 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.7 p -82.29 106.47 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.29 21.15 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -79.44 119.58 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 140.91 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 61' ' ' TYR . 11.5 mm -138.11 100.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -86.5 141.77 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 46' ' ' ILE . 98.9 t -128.68 158.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 56' ' ' MET . 7.8 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.3 mm? -49.92 165.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.3 p -97.94 144.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.676 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 t70 -82.8 128.64 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 80' ' ' ALA . 20.1 mt -137.7 148.49 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -109.36 116.08 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG13 HD12 ' A' ' 49' ' ' ILE . 5.3 mm -85.82 92.14 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.36 117.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 18.6 t90 -139.66 43.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 163.29 -52.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.47 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -65.88 161.65 20.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 3.1 pttt -128.75 102.5 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -84.84 106.09 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.574 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.07 109.02 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.9 HG11 HD13 ' A' ' 49' ' ' ILE . 1.7 m -123.34 149.9 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -108.75 122.86 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -142.61 151.05 56.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.42 29.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 72' ' ' ARG . 4.6 tp -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 130.71 31.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 22.0 p -74.1 141.72 45.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.8 -29.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 t -80.26 -49.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.5 mt-10 -38.91 -37.34 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.8 mt -40.51 -48.28 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -44.76 -67.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -57.41 -21.19 34.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -78.48 -32.77 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CG2' ' A' ' 50' ' ' THR . 6.8 mt -89.58 -45.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -56.27 -22.8 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.1 -16.09 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.9 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.07 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.582 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.1 p -57.64 -31.66 66.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.85 5.41 51.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.0 167.43 15.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.04 147.89 34.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.02 -32.71 5.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.35 -27.98 64.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 mmt -110.03 34.13 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.427 ' HG2' HD21 ' A' ' 52' ' ' LEU . 5.9 mt-30 -109.75 154.89 22.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.77 ' CB ' HG12 ' A' ' 85' ' ' VAL . 6.1 tptt -126.21 91.93 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -85.33 98.64 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 mtp -150.13 120.82 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -127.14 101.4 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 48.76 24.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 154.83 6.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 140.0 32.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -110.76 112.44 56.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.41 4.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.568 1.825 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.23 -8.04 46.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -4.27 59.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -131.63 144.49 51.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.6 p -73.05 167.16 21.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -54.53 -56.37 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.776 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -59.28 -16.9 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -92.21 -36.39 13.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.815 HG23 ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER -83.16 4.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.84 78.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.628 HG12 HD11 ' A' ' 35' ' ' LEU . 47.2 t -133.51 147.92 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.4 p -146.6 -164.82 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.425 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.8 m -82.4 108.58 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.96 24.17 4.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.741 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -78.6 118.33 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 145.94 46.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -137.43 117.98 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -106.52 114.15 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 2.4 t -100.65 156.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.77 HG12 ' CB ' ' A' ' 58' ' ' LYS . 9.6 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.658 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -41.78 152.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.1 p -86.62 144.67 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 20' ' ' LEU . 86.3 m-20 -83.74 120.91 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 80' ' ' ALA . 63.7 mt -130.95 143.22 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 115.48 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 2.7 mm -79.71 90.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 84' ' ' VAL . 3.4 mm -83.38 136.75 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 11.1 t90 -167.13 111.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 108.053 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.4 -75.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.28 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -121.93 158.88 28.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -137.45 103.35 5.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -102.39 108.17 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.592 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -68.31 119.8 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.99 HG11 HD13 ' A' ' 49' ' ' ILE . 6.2 m -141.1 142.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.551 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -110.23 120.85 43.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.4 m -133.99 150.54 74.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -74.64 -19.82 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -15.64 60.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.52 139.04 54.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' GLU . 54.3 p -81.51 144.73 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.25 -28.51 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.8 t -79.55 -47.33 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.4 mt-10 -38.63 -41.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.2 mt -41.45 -49.71 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' A' ' 59' ' ' VAL . 25.2 mmtp -46.42 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -62.3 -19.97 63.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -30.47 51.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.612 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.8 mt -92.92 -44.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' N ' HE22 ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.41 -25.72 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -12.14 60.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.99 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.612 ' CG2' HG22 ' A' ' 46' ' ' ILE . 20.0 p -52.52 -34.7 51.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 -11.82 55.22 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.9 168.07 21.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.98 -26.28 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.79 -25.92 65.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -5.89 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 25.5 mt-30 -79.88 151.57 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.585 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.09 91.85 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.592 HG23 ' HE3' ' A' ' 43' ' ' LYS . 20.1 t -78.52 108.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.21 120.2 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.4 OUTLIER -127.65 99.8 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt 45.85 26.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.01 151.82 5.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.9 141.07 28.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -102.17 114.22 65.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -62.91 -20.83 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.89 -12.42 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -126.11 147.93 49.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.5 p -81.48 163.46 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -48.85 -55.7 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -20.32 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.55 -36.88 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -77.47 -5.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 7.3 mtpt 85.63 92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG23 HG13 ' A' ' 74' ' ' ILE . 69.7 t -146.6 142.98 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -133.59 -173.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 p -78.73 104.09 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 114.22 23.97 4.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -77.68 121.09 23.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 139.93 58.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 mm -138.1 111.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 ttm -88.43 137.05 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 27.3 t -117.56 142.49 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.585 HG11 ' CB ' ' A' ' 58' ' ' LYS . 3.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.41 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.3 p -91.36 149.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.2 m-20 -83.84 136.2 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 19' ' ' ASP . 75.2 mt -143.86 146.36 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -101.68 119.87 39.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -79.63 84.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.69 120.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.2 t90 -160.47 110.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.41 -63.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 6.9 mmtt 177.52 43.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.42 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 1.6 p -123.33 150.44 43.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -133.35 93.94 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' NE2' ' HB ' ' A' ' 27' ' ' THR . 7.4 m170 -99.21 112.29 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -74.14 104.12 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.999 HG11 HD13 ' A' ' 49' ' ' ILE . 18.3 m -120.43 140.52 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 17' ' ' LEU . 35.3 pttt -106.69 112.2 25.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -125.95 153.46 73.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.59 41.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -76.55 -21.05 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -17.17 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 128.5 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' GLU . 71.1 p -73.76 147.67 43.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.31 -24.26 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -82.49 -40.14 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.3 mt-10 -58.18 -25.85 62.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 71' ' ' LEU . 5.5 mt -51.51 -45.7 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.823 ' HE2' HG23 ' A' ' 59' ' ' VAL . 1.7 mmtp -58.2 -45.19 88.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.06 -19.2 63.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -33.16 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 84' ' ' VAL . 4.4 mt -81.81 -37.14 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.461 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.72 -25.99 67.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -12.23 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.999 HD13 HG11 ' A' ' 31' ' ' VAL . 1.2 mt -114.36 -60.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.586 ' CG2' HG22 ' A' ' 46' ' ' ILE . 25.8 p -55.33 -32.88 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.77 -30.02 6.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -68.58 168.22 15.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.49 40.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.493 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.16 9.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.9 73.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mtm -104.57 36.58 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.451 HE22 ' N ' ' A' ' 47' ' ' HIS . 6.2 mt-30 -113.74 141.02 47.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttt -115.51 92.0 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.823 HG23 ' HE2' ' A' ' 43' ' ' LYS . 32.8 t -84.01 112.75 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 mtp -150.24 120.49 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.45 99.81 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.93 21.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.77 155.28 7.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 139.96 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HD13 ' A' ' 74' ' ' ILE . 13.0 t -107.29 119.77 49.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.5 17.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -81.48 -31.65 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -20.57 66.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -113.61 143.24 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.957 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.4 p -82.58 170.27 15.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 42' ' ' LEU . 2.0 mt -49.9 -60.42 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -49.28 -26.04 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.86 -45.74 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.957 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -67.67 -9.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 mtpm? 81.47 86.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 HG13 ' A' ' 74' ' ' ILE . 6.4 t -123.55 158.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 51.3 p -142.01 166.63 24.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.422 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 90.4 p -75.9 104.38 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.41 24.02 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.427 1.079 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -80.05 171.93 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.57 148.48 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.8 mm -138.15 102.56 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -86.22 128.54 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.601 HG21 HG21 ' A' ' 46' ' ' ILE . 58.4 t -120.09 162.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.1 p . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.674 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -39.96 153.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.8 p -88.12 146.29 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 m-20 -84.59 134.36 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 19' ' ' ASP . 53.3 mt -146.1 143.91 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -101.16 112.77 25.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' VAL . 16.9 mm -74.1 82.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 84' ' ' VAL . 18.3 mm -73.84 131.29 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.1 t90 -165.27 115.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.12 -75.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -171.21 40.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.97 160.62 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 101.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -103.3 112.14 24.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.82 114.01 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.053 HG11 HD13 ' A' ' 49' ' ' ILE . 11.3 m -133.91 141.64 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -109.54 119.43 39.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.9 m -132.06 151.92 79.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.48 36.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -73.59 -14.82 61.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -16.61 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.29 130.76 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 53.5 p -73.14 146.46 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.76 -25.99 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -81.24 -42.21 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' LYS . 10.6 mt-10 -47.88 -36.17 11.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.932 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.4 mt -44.12 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.737 ' CE ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.44 -60.44 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.14 -19.94 65.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -80.24 -30.78 38.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -89.05 -44.36 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -29.95 63.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -67.61 -16.02 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.053 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.3 p -53.06 -34.32 55.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.61 -0.48 60.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -91.04 167.52 15.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.5 33.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.98 -31.29 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.44 66.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.81 35.84 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -108.82 162.77 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.808 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.1 104.87 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.737 HG21 ' CE ' ' A' ' 43' ' ' LYS . 2.0 t -109.02 106.79 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -142.75 120.18 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t80 -127.69 102.54 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.82 30.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 141.3 165.11 10.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -53.81 136.75 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 74' ' ' ILE . 15.4 t -99.46 114.96 65.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.85 14.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.63 -26.98 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -30.93 69.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -102.33 158.28 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 74' ' ' ILE . 72.6 p -96.47 166.75 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.932 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -45.79 -59.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -50.37 -21.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.6 mm-40 -94.66 -33.98 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 70' ' ' THR . 0.6 OUTLIER -77.22 -8.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ILE . 1.1 mmtt 80.29 92.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 77' ' ' THR . 5.8 t -130.54 163.3 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 56.6 p -133.51 168.96 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.454 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 p -85.85 100.35 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.69 24.12 4.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -76.86 176.82 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -119.18 151.68 37.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 81' ' ' LYS . 4.9 mm -137.84 102.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.97 124.3 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 23' ' ' ILE . 21.4 t -118.93 159.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.808 HG12 ' HB2' ' A' ' 58' ' ' LYS . 2.3 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -40.06 151.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.5 p -85.83 140.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.9 t0 -79.42 135.16 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 80' ' ' ALA . 94.9 mt -144.4 151.76 39.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 115.11 29.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 46' ' ' ILE . 12.4 mm -80.2 89.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.96 137.06 23.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.608 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -169.21 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.33 -63.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER 175.56 39.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.83 156.35 32.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.447 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -131.08 98.82 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -98.69 106.23 18.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.95 112.16 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.126 HG11 HD13 ' A' ' 49' ' ' ILE . 5.7 m -131.83 143.38 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -109.73 117.92 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.79 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.6 m -129.04 152.92 80.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.99 32.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.2 tp -74.44 -12.86 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.27 -15.57 60.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -59.74 145.93 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.492 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.8 p -88.76 144.14 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.94 -25.75 0.7 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -75.4 -45.19 40.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -53.03 -37.49 61.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.7 mt -40.28 -51.85 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.51 -60.17 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -19.86 65.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -29.82 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.794 HG21 HG21 ' A' ' 84' ' ' VAL . 2.4 mt -92.23 -36.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -29.29 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -11.71 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.126 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.608 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 32.3 p -51.5 -35.97 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.36 -23.07 12.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.5 168.02 31.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.86 34.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.04 -31.29 6.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.78 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.53 66.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.26 27.42 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 12.0 mt-30 -109.68 158.76 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -129.04 94.18 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG21 ' CD ' ' A' ' 43' ' ' LYS . 3.5 t -88.79 108.74 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.15 120.72 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.6 t80 -127.35 101.48 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 25.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.0 155.83 7.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 141.51 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -101.75 112.52 65.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.14 -14.04 60.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -12.49 57.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -124.98 145.78 49.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' ILE . 35.7 p -82.58 163.07 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.007 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.8 mt -43.67 -58.98 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.8 ttp85 -48.59 -30.65 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 2.3 mt-10 -84.4 -40.45 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -72.6 -5.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 81.92 86.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG23 HG13 ' A' ' 74' ' ' ILE . 47.8 t -136.73 145.82 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 p -137.85 177.39 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.434 ' CA ' HG23 ' A' ' 18' ' ' VAL . 85.3 p -74.11 104.8 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.02 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.026 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -71.97 -179.79 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.86 136.28 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.3 mm -133.15 116.28 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 141.62 28.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.794 HG21 HG21 ' A' ' 46' ' ' ILE . 99.5 t -133.6 145.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' LEU . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.688 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -39.8 149.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG11 HD13 ' A' ' 35' ' ' LEU . 2.9 p -87.14 139.8 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.73 118.58 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 80' ' ' ALA . 52.2 mt -128.43 145.86 50.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.55 120.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 HG21 ' A' ' 31' ' ' VAL . 4.8 mm -83.92 87.87 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -83.85 135.24 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.8 t90 -165.84 122.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 21.2 m120 62.33 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -165.98 39.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -124.29 156.12 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.24 130.89 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -135.66 121.4 19.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.96 111.42 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.062 HG11 HD13 ' A' ' 49' ' ' ILE . 14.6 m -130.9 141.53 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -103.04 117.41 34.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.648 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 m -128.42 154.18 79.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.59 42.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 HG11 ' A' ' 18' ' ' VAL . 3.6 tp -79.69 -21.77 44.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.28 -13.23 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 128.7 37.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' SER . 16.0 p -78.02 141.71 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.01 -31.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -75.41 -52.54 10.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 mt-10 -47.33 -38.15 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.029 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.0 mt -39.98 -56.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -50.2 -48.48 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -20.43 66.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -34.3 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 43' ' ' LYS . 3.9 mt -76.24 -39.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.7 OUTLIER -59.11 -38.79 80.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -17.49 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.062 HD13 HG11 ' A' ' 31' ' ' VAL . 1.9 mt -113.67 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 ' CB ' HD23 ' A' ' 52' ' ' LEU . 27.6 p -57.72 -32.14 67.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . 75.64 -1.45 57.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -87.24 169.06 15.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.742 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 149.43 36.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.01 -35.23 3.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.5 -37.86 65.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -80.77 -38.33 28.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 43' ' ' LYS . 70.2 mt-30 -46.68 144.62 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -126.56 91.73 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.624 HG23 ' CE ' ' A' ' 43' ' ' LYS . 19.9 t -78.11 109.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtp -150.24 120.17 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -127.34 99.82 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 46.84 25.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.68 148.78 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.76 141.36 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.588 HG22 HD13 ' A' ' 74' ' ' ILE . 25.9 t -104.53 131.31 21.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 18.1 Cg_endo -75.03 128.32 11.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -81.74 -16.86 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.13 -4.19 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.28 158.51 37.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 74' ' ' ILE . 58.8 p -96.23 163.43 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.029 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.48 -61.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -28.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' THR . 4.5 mm-40 -86.59 -40.77 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -71.35 -6.72 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 83.15 80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.619 HG23 HG13 ' A' ' 74' ' ' ILE . 41.1 t -128.61 148.35 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -138.55 -174.73 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.584 ' HA ' HG23 ' A' ' 18' ' ' VAL . 2.2 m -76.22 105.78 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.08 14.96 7.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -70.5 122.63 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 144.07 47.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.5 mm -137.62 124.48 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.51 144.01 31.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 46' ' ' ILE . 34.9 t -128.02 138.29 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -39.83 154.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -88.65 141.96 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.13 114.9 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 80' ' ' ALA . 43.5 mt -125.12 146.32 49.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.618 HD11 HG21 ' A' ' 31' ' ' VAL . 4.5 mm -87.76 88.06 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -79.74 130.9 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.43 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.0 t90 -161.41 111.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.06 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.83 39.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.15 149.64 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -128.19 99.52 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -93.73 123.21 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.59 113.85 19.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.043 HG11 HD13 ' A' ' 49' ' ' ILE . 15.7 m -137.45 138.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -107.11 130.97 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.785 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -144.3 152.49 54.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.48 32.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.757 HD21 ' O ' ' A' ' 76' ' ' VAL . 4.8 tp -74.24 -17.97 60.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -17.98 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -57.23 148.69 21.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . 11.7 p -88.96 142.69 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.91 -27.03 0.34 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -73.66 -47.03 42.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' THR . 17.0 mt-10 -49.27 -39.58 31.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.2 mt -40.71 -51.22 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -47.64 -62.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.82 -19.36 62.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.53 -30.13 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -90.87 -38.55 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -12.2 59.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.043 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.28 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.48 ' CG2' HG22 ' A' ' 46' ' ' ILE . 23.9 p -53.24 -34.37 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.6 -5.42 61.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -89.68 167.53 17.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.93 29.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.95 -31.53 6.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.51 64.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mmm -104.87 29.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' HD21 ' A' ' 52' ' ' LEU . 10.7 mt-30 -113.37 154.71 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' CB ' HG11 ' A' ' 85' ' ' VAL . 2.6 tmtt? -129.0 91.56 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 t -83.22 113.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.2 mtp -150.65 120.67 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.463 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.25 103.24 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 50.28 23.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.91 158.1 7.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.64 139.05 33.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 HD13 ' A' ' 74' ' ' ILE . 6.9 t -106.69 106.7 58.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.64 19.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -80.58 -15.69 55.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -3.94 50.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.51 139.9 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' ILE . 81.5 p -76.97 165.95 23.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt -50.94 -60.55 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.433 ' HG3' HD23 ' A' ' 35' ' ' LEU . 2.6 ttt-85 -55.22 -18.51 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -89.03 -43.3 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.716 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -75.86 -2.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mttt 85.4 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.757 ' O ' HD21 ' A' ' 35' ' ' LEU . 75.3 t -136.49 146.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -144.8 -173.21 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 78.8 p -76.01 107.63 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.37 23.23 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.724 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.29 121.02 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.96 145.98 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.4 mm -138.06 106.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.36 132.39 34.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 50' ' ' THR . 28.5 t -119.12 138.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.521 HG11 ' CB ' ' A' ' 58' ' ' LYS . 1.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.16 150.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -82.88 147.79 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -85.46 133.42 34.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.001 HD22 ' HB3' ' A' ' 80' ' ' ALA . 88.7 mt -144.79 147.03 32.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 118.28 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 31' ' ' VAL . 4.4 mm -84.11 88.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' CG ' ' A' ' 81' ' ' LYS . 4.6 mm -80.4 132.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 15.8 t90 -163.19 106.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.965 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -73.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.37 37.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.5 p -120.7 146.28 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 104.67 8.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -104.97 105.95 16.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -70.85 105.38 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.066 HG11 HD13 ' A' ' 49' ' ' ILE . 14.0 m -126.02 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HG3' HD23 ' A' ' 17' ' ' LEU . 14.4 pttt -110.05 118.04 35.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.826 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 m -129.07 153.23 80.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 149.54 37.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.643 HD11 HG12 ' A' ' 76' ' ' VAL . 3.1 tp -72.24 -20.78 61.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.08 -12.1 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 m -59.43 128.03 35.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLU . 57.9 p -73.63 140.56 46.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -45.82 -25.11 1.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.463 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . 28.9 t -77.95 -39.17 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.746 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mt-10 -61.9 -33.5 74.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 3.8 mt -42.19 -54.48 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -46.84 -55.91 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -79.73 -31.23 41.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.1 mt -88.65 -42.62 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -30.17 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -12.32 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.066 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.23 -60.41 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.669 ' CG2' HG22 ' A' ' 46' ' ' ILE . 69.2 p -52.13 -35.6 48.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.05 -25.41 8.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -75.58 167.37 37.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 145.98 32.03 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.97 -26.5 10.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.69 -16.34 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.05 -34.74 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.577 ' OE1' HG21 ' A' ' 50' ' ' THR . 27.9 mt-30 -56.71 143.71 35.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.659 ' HB2' HG12 ' A' ' 85' ' ' VAL . 7.2 tttm -117.43 92.03 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG21 ' CD ' ' A' ' 43' ' ' LYS . 17.3 t -76.54 107.37 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 mtp -150.12 120.41 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.5 t80 -127.47 102.97 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 46.94 25.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.3 150.35 5.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 140.8 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 74' ' ' ILE . 17.5 t -102.24 115.36 64.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.8 22.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 40' ' ' SER . 35.1 mt-10 -82.61 -31.48 28.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -24.96 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -113.3 138.49 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.961 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.6 p -79.72 169.05 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 15.3 mt -46.92 -58.87 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -50.89 -21.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' THR . 8.5 mm-40 -95.06 -31.68 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.14 1.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 76.04 74.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 HG13 ' A' ' 74' ' ' ILE . 7.6 t -117.74 152.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.2 p -137.45 177.16 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.4 t -80.43 103.43 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.48 20.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.001 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -65.99 -179.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.62 149.28 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.6 mm -138.11 116.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 130.48 42.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 57' ' ' GLN . 26.0 t -123.48 146.97 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.14 151.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -83.12 151.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.489 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.0 t0 -88.4 122.21 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 47.7 mt -136.27 144.28 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -106.08 129.35 54.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 31' ' ' VAL . 5.3 mm -87.86 85.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' HG2' ' A' ' 28' ' ' LYS . 14.9 mm -77.45 120.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 16.6 t90 -152.88 109.63 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.11 -71.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.92 36.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.0 p -117.3 152.86 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HG2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -136.09 96.57 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.36 109.13 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 102.98 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.985 HG11 HD13 ' A' ' 49' ' ' ILE . 18.9 m -118.08 141.96 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.1 ptmt -108.92 111.39 23.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 m -129.83 151.53 78.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.58 33.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 HG12 ' A' ' 76' ' ' VAL . 3.7 tp -66.66 -17.94 65.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.53 -13.65 53.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB2' HD12 ' A' ' 71' ' ' LEU . 71.8 m -59.62 122.28 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLU . 28.8 p -75.74 142.74 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.654 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -43.52 -26.34 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -77.87 -46.05 22.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.947 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' THR . 49.2 mt-10 -55.77 -36.59 67.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 71' ' ' LEU . 7.9 mt -40.32 -46.56 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 60.0 mmtt -48.49 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -14.39 54.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.84 29.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.596 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.0 mt -91.45 -39.27 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -24.21 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -13.02 60.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.985 HD13 HG11 ' A' ' 31' ' ' VAL . 1.3 mt -114.18 -62.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.665 ' CB ' HD23 ' A' ' 52' ' ' LEU . 78.1 p -52.94 -35.36 58.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 -23.03 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -72.55 167.8 29.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.02 142.78 28.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -75.05 -27.98 9.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.74 -22.9 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -18.21 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CG ' HD11 ' A' ' 52' ' ' LEU . 45.2 mt-30 -74.37 157.2 36.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.94 92.78 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.26 108.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 mtp -150.27 120.18 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.49 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.57 102.86 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.056 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt 44.11 27.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 153.19 150.3 5.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.72 139.32 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 11.7 t -109.42 109.05 60.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.32 7.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.84 -5.61 31.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.26 -19.88 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.92 142.98 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.8 p -77.41 164.08 25.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 42' ' ' LEU . 20.3 mt -52.34 -48.95 65.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HG3' HD23 ' A' ' 35' ' ' LEU . 5.5 ttm180 -64.87 -15.68 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.1 -36.34 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.684 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -82.88 6.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.59 81.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.674 HG12 HD11 ' A' ' 35' ' ' LEU . 39.2 t -132.6 152.28 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 10.9 p -154.78 -177.39 6.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.442 ' CA ' HG23 ' A' ' 18' ' ' VAL . 35.7 p -70.6 110.31 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.28 24.16 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -94.26 120.53 34.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 152.58 42.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.6 mm -137.01 107.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 138.63 35.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' ILE . 6.1 t -125.69 156.51 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' LEU . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.657 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.2 156.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.926 HG11 HD13 ' A' ' 35' ' ' LEU . 2.4 p -96.21 141.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.522 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -76.81 129.65 36.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.075 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.6 mt -142.53 152.52 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.95 128.91 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mm -94.41 119.42 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 22' ' ' ILE . 2.9 mm -114.99 130.55 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.602 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 17.5 t90 -159.0 34.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 107.968 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER 166.14 -45.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 5.9 mttm 163.53 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.2 p -54.56 161.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -125.34 94.07 4.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.97 105.96 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 114.74 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 49' ' ' ILE . 5.1 m -133.05 144.45 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.75 126.69 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.0 m -140.74 152.63 66.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.89 41.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.926 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -83.65 -14.93 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -10.69 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -66.61 137.17 56.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 16.8 p -72.13 141.2 49.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.0 -26.5 0.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -76.06 -44.75 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HG ' HD21 ' A' ' 71' ' ' LEU . 3.7 mt -40.84 -49.98 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 59' ' ' VAL . 7.2 mptt -48.3 -56.3 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -65.98 -21.45 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -81.41 -28.7 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 84' ' ' VAL . 2.8 mt -91.36 -40.88 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.9 -20.74 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -19.04 60.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.759 HD13 HG11 ' A' ' 31' ' ' VAL . 2.4 mt -109.37 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.717 ' CG2' HG22 ' A' ' 46' ' ' ILE . 76.7 p -47.19 -38.39 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.68 53.42 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -85.2 168.18 21.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 147.36 34.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.07 -29.07 8.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.59 33.72 3.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 6.1 mt-30 -112.78 152.69 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.698 ' CB ' HG12 ' A' ' 85' ' ' VAL . 1.3 tttp -125.31 91.95 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 43' ' ' LYS . 2.9 t -87.91 112.34 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.6 mtp -150.34 120.8 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -127.15 101.07 6.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt 46.94 25.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 148.65 153.6 6.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.11 140.49 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG22 HD13 ' A' ' 74' ' ' ILE . 14.7 t -100.2 113.36 65.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.95 -14.96 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.03 0.79 46.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -136.48 150.34 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.865 ' O ' HG23 ' A' ' 74' ' ' ILE . 69.5 p -84.91 165.04 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 mt -47.87 -56.72 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttm180 -53.75 -19.55 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.5 mm-40 -94.88 -36.34 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -76.64 -1.95 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 80.61 77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.628 HG23 HG13 ' A' ' 74' ' ' ILE . 23.0 t -122.37 150.68 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.1 p -137.5 -178.02 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 18' ' ' VAL . 14.5 t -84.08 104.26 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.34 19.38 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.075 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -61.26 -179.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.57 138.18 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.52 126.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.73 117.87 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.93 HG21 HG21 ' A' ' 46' ' ' ILE . 92.3 t -108.36 158.13 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.698 HG12 ' CB ' ' A' ' 58' ' ' LYS . 3.3 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t 62.86 139.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -165.89 151.14 8.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 157.88 9.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.8 162.31 20.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.25 154.73 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.71 151.83 23.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.71 98.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.01 140.32 3.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.42 -115.0 0.37 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.32 166.11 20.51 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.8 -131.02 18.04 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.9 t 63.4 105.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.93 -92.53 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -130.87 116.63 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.03 179.76 7.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.27 151.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG11 HD13 ' A' ' 35' ' ' LEU . 3.4 p -93.13 141.73 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.85 128.63 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 80' ' ' ALA . 65.3 mt -131.43 149.56 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.14 118.57 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.728 HD11 HG21 ' A' ' 31' ' ' VAL . 7.0 mm -83.46 87.99 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 21' ' ' LYS . 7.0 mm -82.13 125.61 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.3 t90 -161.89 113.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.18 -68.96 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -116.93 155.78 28.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -136.72 102.02 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -108.56 119.16 38.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -82.72 108.56 16.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HD13 ' A' ' 49' ' ' ILE . 15.9 m -120.31 140.3 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 8.3 pttt -105.43 111.35 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.4 m -127.15 152.81 76.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.63 33.88 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD13 HG11 ' A' ' 18' ' ' VAL . 4.3 tp -71.49 -13.74 61.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -4.63 37.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 126.11 28.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.4 p -71.4 144.45 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.59 -23.34 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.8 t -79.91 -35.67 37.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.7 mt-10 -60.5 -38.53 84.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.865 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.9 mt -40.4 -50.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -47.8 -58.64 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.62 -19.64 65.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . 2.0 tptt -78.92 -30.88 44.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.573 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.9 mt -88.12 -44.88 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.58 -32.1 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -16.32 62.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.046 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.573 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.4 p -52.87 -34.31 53.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.81 -1.38 62.78 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -91.76 167.21 15.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.6 Cg_endo -74.94 149.11 36.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.0 -33.89 4.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.71 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.12 30.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' CG ' HD21 ' A' ' 52' ' ' LEU . 5.7 mt-30 -111.25 157.29 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -129.08 91.96 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG21 ' HE3' ' A' ' 43' ' ' LYS . 2.5 t -88.42 103.84 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtp -149.96 121.33 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 4.3 t80 -126.96 100.94 6.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 7.5 mtpt 48.06 24.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.79 157.53 8.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 142.96 43.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 15.3 t -107.95 114.28 60.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.03 27.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.65 -14.31 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -12.6 57.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -126.61 144.1 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 74' ' ' ILE . 17.2 p -81.64 169.13 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -49.45 -55.42 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -20.76 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -96.31 -39.57 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -70.69 -8.57 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 84.62 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 74' ' ' ILE . 41.5 t -126.48 151.79 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.4 p -143.44 174.61 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.451 ' HA ' HG23 ' A' ' 18' ' ' VAL . 23.2 t -68.04 105.25 1.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.43 20.08 5.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.613 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.82 122.22 21.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 144.98 48.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.0 mm -136.79 109.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.13 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' ' 46' ' ' ILE . 27.8 t -131.66 155.6 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 86' ' ' GLY . 11.5 p -115.65 169.46 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 127.91 -176.5 18.01 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.03 -64.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.9 m -100.22 120.53 40.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.5 tt -52.4 162.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.41 131.85 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -110.82 166.18 12.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.83 8.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -103.36 -58.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 -58.47 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.79 163.21 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -167.2 169.09 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.77 167.33 20.11 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -176.37 101.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.21 158.54 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.11 -167.75 33.07 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -146.58 131.34 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 122.38 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.11 -169.73 13.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.66 177.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.01 -164.49 11.38 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 1.3 p -169.2 121.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.75 -70.06 1.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.68 -152.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.22 154.51 51.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.55 147.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.84 HG11 HD13 ' A' ' 35' ' ' LEU . 3.1 p -91.83 150.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.472 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.2 m-20 -84.86 131.08 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 80' ' ' ALA . 39.9 mt -144.69 149.6 35.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -101.52 128.97 47.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.79 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -91.82 86.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -79.4 132.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.586 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.4 t90 -170.1 115.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER 68.52 -72.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -176.69 36.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.62 160.75 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -135.85 103.12 5.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' CG1' ' A' ' 22' ' ' ILE . 94.7 m-70 -105.54 105.83 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.54 119.95 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.017 HG11 HD13 ' A' ' 49' ' ' ILE . 15.5 m -136.08 140.05 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 6.8 pttt -104.34 114.82 29.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.676 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.7 m -128.36 151.64 76.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.85 42.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.84 HD13 HG11 ' A' ' 18' ' ' VAL . 3.4 tp -79.93 -2.71 44.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.64 -23.9 39.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.89 127.83 22.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.3 p -70.78 143.16 51.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.33 -30.11 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.8 t -77.9 -48.72 15.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 0.812 . . . . 0.0 110.049 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 mt-10 -41.68 -36.52 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 2.7 mt -40.4 -46.62 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HD2' ' CB ' ' A' ' 54' ' ' PRO . 27.8 mmtt -47.46 -67.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -58.01 -19.34 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -29.87 44.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.8 mt -89.92 -46.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -55.77 -22.71 25.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -77.4 -16.13 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.017 HD13 HG11 ' A' ' 31' ' ' VAL . 1.1 mt -114.39 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.586 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 16.8 p -57.87 -31.33 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.5 5.26 55.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.73 167.56 13.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . 18.3 Cg_endo -74.99 -30.85 6.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.57 67.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.2 34.23 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.4 mt-30 -110.91 155.74 22.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' CB ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -127.38 91.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 t -85.55 98.85 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.9 mtp -150.19 120.81 7.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.9 OUTLIER -127.11 101.31 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.62 25.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.95 153.53 6.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.62 140.71 34.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.787 HG22 HD13 ' A' ' 74' ' ' ILE . 13.2 t -108.43 114.15 59.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.48 4.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.92 -6.67 34.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -10.85 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.55 157.43 35.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.873 ' O ' HG23 ' A' ' 74' ' ' ILE . 62.8 p -86.43 165.59 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 8.6 mt -51.0 -55.05 19.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -55.95 -19.36 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -93.23 -40.39 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -73.52 -4.93 5.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 84.59 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG13 ' A' ' 74' ' ' ILE . 39.4 t -126.48 149.04 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 p -137.36 178.24 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.445 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 24.7 p -81.56 103.92 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.65 19.13 5.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.804 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -68.53 179.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -123.77 146.64 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.7 mm -138.0 118.49 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 141.38 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -132.84 152.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.519 HG22 ' H ' ' A' ' 86' ' ' GLY . 1.3 p -144.14 176.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.519 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 97.82 62.08 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 t -66.71 97.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.4 p -129.64 127.52 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.6 pp -111.7 122.03 65.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.9 t -154.38 -59.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.18 96.1 0.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m 63.78 84.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 t -145.77 101.64 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -158.67 131.29 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -124.46 129.45 50.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.6 127.31 9.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.027 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.02 156.72 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 p -166.6 169.04 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.052 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.96 -161.08 32.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -137.2 163.23 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.86 66.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 43.45 -156.05 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.82 -128.02 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.06 11.72 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.12 97.15 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.63 84.91 0.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 67.24 138.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.03 139.3 58.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.27 153.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.1 p -88.58 141.78 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.532 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.7 m-20 -82.27 123.07 28.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.5 mt -130.66 142.79 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.34 120.45 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.703 HD11 HG21 ' A' ' 31' ' ' VAL . 4.3 mm -80.8 89.48 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 24.8 mm -81.64 122.32 36.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 12.0 t90 -155.94 106.41 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.43 -66.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -175.35 38.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -113.83 156.05 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.06 96.3 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -105.73 108.72 20.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 110.85 7.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HD13 ' A' ' 49' ' ' ILE . 16.3 m -123.15 141.22 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 15.7 pttt -103.81 111.82 24.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.2 m -130.58 150.76 77.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 163.95 34.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.1 tp -90.3 17.26 7.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -101.96 -8.91 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -66.14 123.53 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLU . 72.3 p -71.63 144.13 49.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -46.63 -25.34 2.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.2 t -79.78 -37.29 35.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 0.768 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.4 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 71' ' ' LEU . 1.9 mt -41.43 -47.02 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -44.58 -66.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -23.32 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -29.25 60.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.4 mt -92.22 -49.24 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -53.04 -39.22 63.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.621 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -18.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.056 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.64 -60.34 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.7 p -55.33 -32.56 62.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.58 5.9 52.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -94.45 167.36 13.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 147.62 34.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -31.12 6.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.58 67.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.9 mmm -109.0 35.35 3.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -109.4 154.69 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 91.89 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -88.15 99.92 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.8 mtp -150.08 120.9 7.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.6 t80 -127.08 100.94 6.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt 46.29 26.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.33 154.44 6.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.02 141.16 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.719 HG22 HD13 ' A' ' 74' ' ' ILE . 19.4 t -110.88 114.99 53.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.62 21.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -85.63 -20.62 29.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -15.59 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.998 ' O ' HG23 ' A' ' 74' ' ' ILE . 22.4 p -74.28 169.43 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.377 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.031 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -50.67 -61.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -26.63 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.02 -39.69 16.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.998 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -75.62 -2.9 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 82.82 81.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 74' ' ' ILE . 42.9 t -132.53 150.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.45 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 21.5 p -152.23 -168.15 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.419 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.477 ' CA ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -80.14 109.01 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.57 23.58 4.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.626 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -91.22 118.82 30.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -72.69 153.12 41.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mm -138.01 104.45 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.13 132.15 36.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.54 151.02 32.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t -148.85 146.41 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -164.79 37.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.28 150.85 19.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -81.43 171.59 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 90' ' ' SER . 4.6 mt -135.17 -91.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 89' ' ' ILE . 5.4 p 71.56 168.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.37 173.37 32.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.4 m 50.73 69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 31.29 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.72 122.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.32 146.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 148.98 7.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.88 123.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.764 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.36 170.04 6.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.11 -168.47 14.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.25 142.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.72 153.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.25 154.48 8.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.09 143.4 6.25 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.04 -155.32 9.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -173.44 139.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.274 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.28 79.34 1.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 67.31 141.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.63 127.68 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -55.91 150.28 13.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 78' ' ' SER . 8.6 p -89.57 153.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -96.19 110.33 22.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 12.2 mt -110.37 150.53 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.63 111.28 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 HG21 ' A' ' 31' ' ' VAL . 3.8 mm -75.41 87.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.23 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 10.6 t90 -171.71 108.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.64 -70.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.43 42.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.72 146.71 49.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -126.58 110.3 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -112.9 106.3 14.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.61 112.6 6.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HD13 ' A' ' 49' ' ' ILE . 16.0 m -123.9 140.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.34 114.87 29.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' N ' ' HB3' ' A' ' 17' ' ' LEU . 3.5 m -134.16 151.89 77.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.03 148.48 35.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.633 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -75.12 -12.86 60.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -12.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 139.64 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.498 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.3 p -83.08 141.77 31.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.46 -26.05 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 38' ' ' THR . 6.4 t -77.66 -43.54 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 7.1 mt-10 -54.31 -35.53 62.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.6 mt -42.06 -48.67 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' CE ' HG23 ' A' ' 59' ' ' VAL . 24.3 mmtp -46.7 -67.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -59.21 -19.36 44.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -30.42 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.657 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.5 mt -91.86 -44.6 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -26.94 53.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -12.6 60.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.057 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.3 -60.87 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.657 ' CG2' HG22 ' A' ' 46' ' ' ILE . 28.6 p -51.66 -35.31 41.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.77 -10.01 57.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -88.42 168.34 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.03 148.11 34.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -74.99 -29.64 8.02 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.66 -32.99 69.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.2 mtt -104.21 29.67 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' A' ' 52' ' ' LEU . 6.5 mt-30 -109.09 158.73 17.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -128.55 91.84 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.484 HG23 ' CE ' ' A' ' 43' ' ' LYS . 8.8 t -84.8 103.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.9 mtp -150.23 120.77 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.21 101.38 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.22 25.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.36 155.41 6.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.73 140.92 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 74' ' ' ILE . 10.5 t -104.85 111.79 65.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.51 -15.66 51.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -9.88 59.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -129.24 145.7 51.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.959 ' O ' HG23 ' A' ' 74' ' ' ILE . 61.7 p -76.84 165.68 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -50.29 -58.37 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.612 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.35 -20.59 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -93.49 -34.33 13.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -79.95 0.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 tttp 84.09 70.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.748 HG23 HG13 ' A' ' 74' ' ' ILE . 78.1 t -128.67 145.9 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.486 HG23 ' C ' ' A' ' 76' ' ' VAL . 40.2 p -155.12 -172.4 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -68.95 109.61 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.23 24.13 4.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.62 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -84.28 163.66 19.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 0.727 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.83 154.22 44.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.8 mm -137.94 115.87 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.08 134.89 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 35.1 t -128.72 158.75 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.3 p -143.54 166.03 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.55 -175.06 20.74 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.414 ' O ' HG22 ' A' ' 88' ' ' THR . 6.2 t -164.45 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 87' ' ' SER . 0.5 OUTLIER 60.89 159.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.6 tt -51.19 167.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.9 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.28 91.86 0.61 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.1 4.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 159.07 15.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.5 t -94.66 166.76 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 59.49 159.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.972 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.26 171.28 14.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.32 -164.14 12.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -175.82 139.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.79 170.23 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.96 -161.07 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -174.09 156.82 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 174.34 10.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.88 178.07 16.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.62 -150.57 5.22 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.59 76.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.703 HG21 ' OD2' ' A' ' 36' ' ' ASP . 9.3 p -172.12 137.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.38 59.13 0.82 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -150.99 128.9 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 0.732 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . 18.0 tt0 -58.08 114.63 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -40.35 147.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 35' ' ' LEU . 2.6 p -89.35 140.94 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -76.04 127.11 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.976 HD22 ' HB3' ' A' ' 80' ' ' ALA . 84.9 mt -139.98 153.95 47.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -114.65 121.6 43.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 31' ' ' VAL . 8.1 mm -85.58 88.58 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ILE . 22.2 mm -71.97 125.3 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.606 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 13.6 t90 -160.77 129.44 4.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.08 -77.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -174.61 47.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 170.88 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' N ' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -136.43 97.96 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.63 105.88 15.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.63 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.19 109.51 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HD13 ' A' ' 49' ' ' ILE . 9.3 m -130.22 142.18 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD23 ' A' ' 17' ' ' LEU . 8.7 pttt -105.91 121.52 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.0 m -135.24 150.48 72.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.58 42.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 18' ' ' VAL . 2.9 tp -80.38 -17.39 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.703 ' OD2' HG21 ' A' ' 13' ' ' VAL . 1.7 p30 -71.82 -16.49 62.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.6 134.18 56.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.415 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.0 p -74.15 146.27 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.06 -21.32 3.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t -79.36 -42.37 25.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.8 mt-10 -53.2 -32.51 48.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 71' ' ' LEU . 7.2 mt -44.65 -49.09 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 13.1 mptt -47.27 -60.0 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.46 -18.76 64.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -78.81 -28.64 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.3 mt -89.63 -44.7 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.51 -27.47 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -14.04 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.08 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.606 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 41.1 p -54.4 -33.69 59.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.81 -32.6 4.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -68.95 168.24 16.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.05 149.64 36.78 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.72 8.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.92 72.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mtm -104.56 31.93 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 5.5 mt-30 -111.6 166.95 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.624 ' HB2' HG12 ' A' ' 85' ' ' VAL . 1.6 mttp -129.33 96.72 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.427 HG21 ' CD ' ' A' ' 43' ' ' LYS . 2.8 t -90.37 100.74 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mtp -150.13 120.79 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CE1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 t80 -127.13 100.7 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HE3' ' CE1' ' A' ' 61' ' ' TYR . 14.3 ptpt 45.59 26.54 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.13 154.09 6.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.12 141.16 29.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.709 HG22 HD13 ' A' ' 74' ' ' ILE . 16.2 t -109.19 114.69 57.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.53 32.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -90.73 -31.84 16.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -65.59 -25.94 67.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -107.77 146.37 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 74' ' ' ILE . 60.8 p -85.34 168.07 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.604 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.0 mt -48.13 -57.16 6.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -19.45 5.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 70' ' ' THR . 46.0 mt-10 -95.63 -31.13 13.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.951 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.24 1.57 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 76.04 74.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 74' ' ' ILE . 6.5 t -119.65 152.38 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.3 p -136.29 -175.76 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 18' ' ' VAL . 7.2 t -86.67 104.15 15.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.44 23.93 4.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.976 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -69.68 179.42 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.7 152.0 48.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ILE . 8.7 mm -136.91 106.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.99 105.02 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 46' ' ' ILE . 44.6 t -102.71 160.96 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.697 HG22 ' H ' ' A' ' 86' ' ' GLY . 2.0 p -137.42 -173.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.697 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 88.47 -177.87 45.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -172.06 143.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.2 t -148.5 151.14 34.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 96.2 mt -141.57 88.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -164.82 170.7 15.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.67 97.24 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.437 1.085 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.07 159.62 39.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.4 p -82.63 129.5 34.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.92 156.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t 67.74 156.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.74 -175.25 26.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -161.44 167.58 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.09 151.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.51 118.16 2.18 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.0 t70 179.74 158.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 0.709 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.0 134.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.38 163.69 15.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.67 -121.41 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.08 149.04 24.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.78 137.16 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.39 -94.71 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -131.38 -151.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -88.31 119.59 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.1 mm? -42.71 150.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.4 p -89.37 142.79 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 20' ' ' LEU . 4.9 m-20 -80.63 122.35 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 19' ' ' ASP . 66.8 mt -122.7 139.28 54.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.88 117.21 30.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.69 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -83.81 85.22 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.3 mm -79.0 127.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 9.5 t90 -162.77 106.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.04 -67.13 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.79 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 2.2 p -123.88 144.8 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 21' ' ' LYS . 1.1 ttpp -128.13 101.79 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 29' ' ' HIS . 6.7 m170 -97.19 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.572 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 102.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.97 HG11 HD13 ' A' ' 49' ' ' ILE . 16.4 m -117.22 140.08 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HD2' HD23 ' A' ' 17' ' ' LEU . 5.5 pttt -107.27 114.23 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.618 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -130.7 152.71 80.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' N ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.1 154.37 41.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 76' ' ' VAL . 4.4 tp -79.11 -15.86 57.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -23.39 62.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 148.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.4 p -89.3 140.81 29.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.15 -28.53 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 18.3 t -75.18 -49.04 20.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.7 mt-10 -41.63 -41.17 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.5 mt -39.79 -55.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.847 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -42.35 -67.06 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -21.3 63.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.9 -28.84 58.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -93.39 -46.02 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -28.15 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -72.23 -12.56 61.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.97 HD13 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -114.22 -60.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.648 ' HB ' HD23 ' A' ' 52' ' ' LEU . 36.8 p -54.78 -33.94 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.96 -26.69 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.648 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -70.63 167.17 29.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.04 146.07 32.08 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -75.0 -29.43 8.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.27 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -26.2 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 52' ' ' LEU . 43.5 mt-30 -69.67 157.58 36.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -129.02 94.49 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.847 HG21 ' HD2' ' A' ' 43' ' ' LYS . 6.8 t -77.9 108.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.5 mtp -150.18 120.87 7.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -127.13 101.53 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt 48.93 24.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.96 155.02 6.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.95 142.37 24.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.627 HG22 HD13 ' A' ' 74' ' ' ILE . 6.2 t -105.27 107.71 59.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.75 22.1 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -83.48 -23.89 32.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -70.58 -9.92 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -129.63 136.84 50.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 1.002 ' O ' HG23 ' A' ' 74' ' ' ILE . 27.5 p -73.49 169.79 16.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.3 mt -52.76 -58.41 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.9 ttm180 -53.94 -19.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -93.33 -33.61 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.002 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -82.98 4.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 77.14 75.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.696 HG12 HD11 ' A' ' 35' ' ' LEU . 25.5 t -129.99 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 13.0 p -154.53 -169.06 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.458 ' HA ' HG23 ' A' ' 18' ' ' VAL . 54.6 p -76.66 109.13 10.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.02 14.2 7.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.69 118.94 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.1 tmmt? -69.18 144.86 53.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 81' ' ' LYS . 12.0 mm -138.3 113.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.28 142.85 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 23' ' ' ILE . 38.4 t -122.28 133.56 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.37 157.57 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.97 175.56 20.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.1 m -166.79 137.98 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.0 m 56.52 96.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 90' ' ' SER . 2.3 pp -80.0 176.04 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -115.26 -60.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.0 162.03 11.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.17 8.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.7 -57.93 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.38 160.26 14.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.92 147.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -175.39 152.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.5 140.62 3.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -161.29 163.43 30.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 167.99 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.96 155.59 27.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.31 149.57 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -178.05 144.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.8 -174.01 35.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.43 165.01 27.59 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.34 161.59 15.78 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.26 149.51 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.59 -96.93 0.63 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -139.36 -169.89 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 0.809 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -58.47 117.69 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -41.11 152.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG12 ' O ' ' A' ' 33' ' ' VAL . 2.8 p -84.44 138.76 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.8 m-20 -78.36 115.35 18.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 80' ' ' ALA . 44.6 mt -127.04 145.38 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -107.15 114.96 29.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' CG1' HG21 ' A' ' 31' ' ' VAL . 2.7 mm -76.99 91.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 9.9 mm -79.37 142.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 50' ' ' THR . 14.3 t90 -176.04 120.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.961 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.76 -73.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 40.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -120.49 165.3 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.59 104.78 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -108.68 117.53 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.629 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -74.93 124.35 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 49' ' ' ILE . 14.0 m -139.23 139.8 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 12.8 pttt -111.41 112.13 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.798 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -127.45 152.81 77.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.92 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' VAL . 2.7 tp -80.33 -3.59 50.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -4.13 58.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.58 138.44 53.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.056 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . 81.2 p -78.41 149.2 33.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.373 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.73 -28.74 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' LYS . 7.5 t -81.66 -46.83 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -39.83 -34.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.742 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.9 mt -47.02 -45.73 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' SER . 22.2 mmtp -46.31 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -58.5 -22.83 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -75.9 -32.43 59.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 84' ' ' VAL . 3.8 mt -90.15 -46.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -34.98 66.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -17.78 51.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.796 ' CD1' HG11 ' A' ' 31' ' ' VAL . 1.7 mt -113.3 -60.21 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.539 ' CG2' HG22 ' A' ' 46' ' ' ILE . 18.2 p -54.72 -33.19 60.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.437 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.09 4.25 55.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -93.18 167.47 14.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 148.83 35.98 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.01 -31.8 5.89 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.56 1.821 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.47 66.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.99 31.21 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' CG ' HD21 ' A' ' 52' ' ' LEU . 7.4 mt-30 -112.27 151.49 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 91.74 3.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.62 103.03 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mtp -150.08 120.85 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -127.14 104.44 7.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.6 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 149.87 163.54 11.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.41 140.94 56.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG22 HD13 ' A' ' 74' ' ' ILE . 10.7 t -108.88 111.35 60.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.14 2.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.81 -20.55 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.84 -14.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -123.32 145.55 48.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.948 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.8 p -77.42 163.37 26.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.742 HD21 ' CD1' ' A' ' 42' ' ' LEU . 4.3 mt -49.6 -55.53 13.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.18 -19.85 8.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -94.5 -33.19 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -78.67 0.17 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mttt 78.05 75.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 74' ' ' ILE . 11.0 t -117.97 154.62 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 p -141.41 -173.62 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -84.73 105.95 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.75 24.06 4.12 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -83.66 119.83 25.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 0.745 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -70.54 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.7 mm -137.26 106.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.84 135.04 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 46' ' ' ILE . 37.5 t -128.36 155.83 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 86' ' ' GLY . 7.2 p -115.57 167.03 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.41 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 112.96 -176.41 17.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 t -173.73 66.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 m 45.92 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 -30.4 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 t -157.64 165.99 34.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.82 66.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -55.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.7 t 61.9 150.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -115.29 133.12 56.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -138.82 161.83 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.751 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.65 169.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 175.77 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.05 151.34 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 109.967 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -171.12 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.01 -61.91 1.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 7.4 p-10 -40.8 121.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 8' ' ' ASP . . . -179.46 159.08 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.08 154.94 9.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.89 166.98 14.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.75 94.08 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.26 168.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.41 -68.04 1.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -135.77 119.84 17.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.44 109.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.68 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -42.43 156.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 33' ' ' VAL . 7.1 p -87.67 148.88 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.3 t70 -88.86 135.36 33.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 19' ' ' ASP . 28.2 mt -142.32 146.2 34.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.74 115.76 31.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.68 HD11 HG21 ' A' ' 31' ' ' VAL . 3.9 mm -79.5 89.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 81' ' ' LYS . 19.8 mm -79.55 121.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 11.3 t90 -152.34 103.04 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.47 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' TRP . 3.7 pttt -171.23 44.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.8 p -122.07 157.03 32.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -138.15 99.23 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -105.12 105.93 16.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.09 106.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.009 HG11 HD13 ' A' ' 49' ' ' ILE . 16.1 m -119.39 140.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -108.2 111.45 23.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.838 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 m -130.23 152.46 80.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.35 32.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD13 HG11 ' A' ' 18' ' ' VAL . 3.8 tp -73.02 -16.07 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -12.21 61.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.3 m -63.42 141.32 58.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLU . 17.9 p -82.03 144.91 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -44.95 -25.14 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.1 t -76.29 -43.6 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -51.64 -39.27 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.735 ' CD1' HD21 ' A' ' 71' ' ' LEU . 5.4 mt -40.94 -53.38 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.883 ' HD2' HG21 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -43.38 -67.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.21 -20.98 63.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -77.02 -28.54 55.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.6 mt -92.59 -45.63 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -30.4 65.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -11.6 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.009 HD13 HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -114.13 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.614 ' HB ' HD23 ' A' ' 52' ' ' LEU . 35.9 p -55.86 -33.04 64.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.75 -30.67 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.654 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -68.98 167.4 20.51 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.99 146.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -75.02 -28.91 8.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.14 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 56' ' ' MET . 9.8 tpp -94.29 -34.25 12.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.654 ' CG ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-30 -60.49 163.57 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -129.07 95.23 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.883 HG21 ' HD2' ' A' ' 43' ' ' LYS . 21.4 t -77.67 102.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.7 mtp -150.06 120.68 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.27 99.96 5.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 50.13 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.09 151.08 5.6 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.91 142.13 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -103.57 112.28 65.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.11 16.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -81.33 -19.88 41.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.79 -6.18 53.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -132.45 138.33 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.98 ' O ' HG23 ' A' ' 74' ' ' ILE . 21.1 p -75.07 168.68 19.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD21 ' CD1' ' A' ' 42' ' ' LEU . 5.2 mt -51.08 -60.02 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -91.64 -41.65 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.98 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -69.27 -8.63 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 3.7 tmtm? 86.57 89.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 HG23 HG13 ' A' ' 74' ' ' ILE . 54.3 t -137.73 151.14 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -134.28 179.74 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 21.8 t -82.2 103.62 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.6 24.12 4.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.709 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -72.5 179.69 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' HG3' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -125.17 152.72 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' ILE . 9.7 mm -138.01 112.27 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.27 132.75 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.39 141.45 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.65 148.21 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 145.9 -160.55 28.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.38 156.4 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m 57.93 167.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 90' ' ' SER . 48.3 mm 56.1 -98.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.04 150.63 20.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.79 97.65 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -178.57 93.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.5 t 62.82 142.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.36 164.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.04 167.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.93 124.09 2.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p 179.8 149.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.786 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.13 169.71 2.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.62 119.05 0.55 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 175.27 115.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.18 152.01 10.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.26 119.06 3.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.52 -144.32 9.59 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.83 -133.55 11.53 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.5 t -53.92 134.33 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.86 104.53 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.52 115.14 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -105.69 137.44 43.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -43.82 150.3 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 35' ' ' LEU . 4.4 p -88.06 149.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.685 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.2 m-20 -86.39 121.12 28.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 19' ' ' ASP . 33.1 mt -125.35 139.08 53.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 107.31 19.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.508 HG12 HG22 ' A' ' 31' ' ' VAL . 14.0 mm -72.07 82.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 84' ' ' VAL . 3.1 mm -74.22 123.47 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.3 t90 -152.59 110.73 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 107.949 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.7 -77.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.76 29.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 13.0 p -112.02 157.84 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -138.1 99.65 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -98.65 117.73 33.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.632 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 110.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.981 HG11 HD13 ' A' ' 49' ' ' ILE . 11.2 m -130.56 142.07 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -109.11 123.17 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.9 m -137.68 152.75 73.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 30.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 18' ' ' VAL . 4.6 tp -68.22 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.72 -18.0 61.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 71' ' ' LEU . 73.7 m -54.57 128.65 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.427 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.8 p -72.45 142.41 48.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -42.11 -27.05 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 38' ' ' THR . 38.1 t -75.83 -50.24 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -42.6 -38.49 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.03 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.2 mt -41.14 -49.31 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 46.8 mmtt -44.82 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -19.93 64.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -29.97 57.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 50' ' ' THR . 5.6 mt -93.25 -47.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 1.9 t-80 -55.02 -22.17 14.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.4 t -79.58 -14.03 59.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.981 HD13 HG11 ' A' ' 31' ' ' VAL . 1.4 mt -114.16 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 46' ' ' ILE . 16.5 p -53.32 -34.22 56.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.56 -8.46 58.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -87.38 168.08 18.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.02 147.78 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.62 70.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.0 31.24 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -107.78 155.95 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.13 91.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG23 ' NZ ' ' A' ' 43' ' ' LYS . 15.5 t -85.43 103.94 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.6 mtp -150.16 120.83 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' HB2' HD13 ' A' ' 82' ' ' ILE . 1.1 t80 -127.17 103.4 7.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt 47.1 25.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.1 155.17 6.82 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.79 139.06 34.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -110.08 110.55 58.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.3 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -71.06 -9.91 58.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.83 -3.52 58.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.578 ' HB2' HG22 ' A' ' 74' ' ' ILE . 3.5 mmtp -131.11 148.45 52.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 74' ' ' ILE . 71.9 p -79.52 163.84 24.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.03 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 mt -54.18 -46.99 72.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -15.07 62.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.67 -40.81 8.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.237 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD13 HG22 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -75.54 -3.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 2.3 mtpt 84.87 83.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 35' ' ' LEU . 54.0 t -135.04 148.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 p -149.25 -173.25 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 31.8 t -72.83 108.53 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.06 24.15 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.492 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.55 118.54 24.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -76.08 148.6 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 14.5 mm -136.69 104.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 126.33 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' ILE . 40.9 t -117.49 153.3 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.7 t -149.6 151.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.81 -175.47 32.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -176.81 142.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -166.43 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 89' ' ' ILE . 30.5 mm -133.61 76.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.168 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.84 153.87 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.74 115.8 1.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.14 7.66 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.95 162.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.97 133.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 t 63.24 127.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -174.09 135.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.8 152.96 8.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.32 143.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.2 171.1 6.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.92 171.18 15.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -158.82 126.71 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.9 143.95 26.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.64 146.68 12.81 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.9 148.06 18.42 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.15 103.23 0.39 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.17 110.04 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.34 -109.83 0.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.64 120.64 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -68.59 128.08 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -40.0 151.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.742 HG11 ' CD1' ' A' ' 35' ' ' LEU . 3.2 p -87.2 140.31 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.74 129.82 34.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 70.3 mt -136.21 147.02 47.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -103.75 118.32 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 31' ' ' VAL . 4.7 mm -80.43 85.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -80.62 127.37 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.51 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -161.18 104.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 107.985 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -64.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.167 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.85 43.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.85 143.68 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.0 96.12 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -103.98 108.16 19.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.58 112.94 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.077 HG11 HD13 ' A' ' 49' ' ' ILE . 16.8 m -126.9 140.55 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 11.1 pttt -105.23 111.06 23.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.4 m -124.59 154.19 69.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' CA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.0 153.56 41.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.742 ' CD1' HG11 ' A' ' 18' ' ' VAL . 2.4 tp -83.75 -15.02 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -74.22 -13.93 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.91 149.95 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 70' ' ' THR . 50.1 p -88.42 144.49 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.596 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -49.46 -21.88 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -78.17 -47.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' LYS . 6.4 mt-10 -49.33 -34.58 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.056 HD11 HD21 ' A' ' 71' ' ' LEU . 4.6 mt -39.68 -50.51 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -46.81 -65.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.75 -16.31 60.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' GLU . 1.6 tptp -80.35 -30.63 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.677 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -93.59 -42.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -23.9 60.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -14.53 61.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.077 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.28 -60.94 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.677 ' CG2' HG22 ' A' ' 46' ' ' ILE . 34.9 p -50.41 -36.83 34.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.83 52.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -83.81 168.17 23.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.41 33.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.99 -33.58 4.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -28.73 58.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.625 ' HG3' HD11 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -108.76 30.11 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 8.8 mt-30 -108.96 151.92 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' N ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -124.16 91.95 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 t -85.18 105.1 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.4 mtp -150.23 120.95 7.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.445 ' HB2' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -127.1 102.29 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.35 24.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.35 155.53 7.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.28 140.14 34.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG22 HD13 ' A' ' 74' ' ' ILE . 11.1 t -108.91 108.97 61.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.45 4.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -66.21 -10.23 39.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -7.15 59.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -127.31 144.54 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 73' ' ' GLU . 67.4 p -76.02 159.42 30.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 42' ' ' LEU . 43.6 mt -48.69 -46.47 40.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -66.74 -23.73 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 70' ' ' THR . 16.4 mm-40 -81.02 -39.83 25.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.763 HD13 HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -79.06 -3.65 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER 83.28 80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG23 HG13 ' A' ' 74' ' ' ILE . 55.1 t -127.62 145.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 5.7 p -139.84 -169.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.459 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.7 p -82.29 106.47 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.29 21.15 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -79.44 119.58 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 140.91 57.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 61' ' ' TYR . 11.5 mm -138.11 100.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -86.5 141.77 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 46' ' ' ILE . 98.9 t -128.68 158.56 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 56' ' ' MET . 7.8 p -109.41 165.2 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -117.09 -103.4 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.09 82.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.4 m -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.625 HD11 ' HG3' ' A' ' 56' ' ' MET . 2.4 mp -121.15 131.1 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -103.32 120.82 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.68 120.19 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.28 10.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 156.17 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 128.94 49.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -175.63 133.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.784 . . . . 0.0 110.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.84 160.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.95 156.03 26.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.89 136.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -177.22 169.71 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.19 119.59 1.94 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.96 146.48 52.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.31 71.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.96 -142.31 12.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.87 120.93 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.72 147.44 0.29 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.85 126.33 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.7 -67.13 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.415 1.072 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -155.97 130.76 9.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.64 132.64 51.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 ' H ' HD22 ' A' ' 17' ' ' LEU . 1.3 mm? -49.92 165.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.3 p -97.94 144.92 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.676 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 t70 -82.8 128.64 34.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 80' ' ' ALA . 20.1 mt -137.7 148.49 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -109.36 116.08 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG13 HD12 ' A' ' 49' ' ' ILE . 5.3 mm -85.82 92.14 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mt -97.36 117.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 18.6 t90 -139.66 43.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 163.29 -52.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.47 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -65.88 161.65 20.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 3.1 pttt -128.75 102.5 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -84.84 106.09 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.574 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.07 109.02 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.9 HG11 HD13 ' A' ' 49' ' ' ILE . 1.7 m -123.34 149.9 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -108.75 122.86 48.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -142.61 151.05 56.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.42 29.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 72' ' ' ARG . 4.6 tp -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.15 130.71 31.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' GLU . 22.0 p -74.1 141.72 45.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.8 -29.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.1 t -80.26 -49.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.5 mt-10 -38.91 -37.34 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 71' ' ' LEU . 4.8 mt -40.51 -48.28 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -44.76 -67.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -57.41 -21.19 34.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -78.48 -32.77 48.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CG2' ' A' ' 50' ' ' THR . 6.8 mt -89.58 -45.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -56.27 -22.8 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.1 -16.09 59.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.036 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.9 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.07 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.582 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 18.1 p -57.64 -31.66 66.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.85 5.41 51.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -92.0 167.43 15.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.04 147.89 34.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.02 -32.71 5.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.35 -27.98 64.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 mmt -110.03 34.13 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.427 ' HG2' HD21 ' A' ' 52' ' ' LEU . 5.9 mt-30 -109.75 154.89 22.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.77 ' CB ' HG12 ' A' ' 85' ' ' VAL . 6.1 tptt -126.21 91.93 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -85.33 98.64 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 mtp -150.13 120.82 7.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -127.14 101.4 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 48.76 24.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 154.83 6.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 140.0 32.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.682 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -110.76 112.44 56.11 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.41 4.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.568 1.825 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.23 -8.04 46.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.92 -4.27 59.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -131.63 144.49 51.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 74' ' ' ILE . 75.6 p -73.05 167.16 21.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.433 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.5 mt -54.53 -56.37 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.776 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -59.28 -16.9 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -92.21 -36.39 13.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.815 HG23 ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER -83.16 4.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.84 78.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.628 HG12 HD11 ' A' ' 35' ' ' LEU . 47.2 t -133.51 147.92 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.4 p -146.6 -164.82 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.425 ' CA ' HG23 ' A' ' 18' ' ' VAL . 5.8 m -82.4 108.58 15.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.96 24.17 4.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.741 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -78.6 118.33 20.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 145.94 46.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -137.43 117.98 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 mtt -106.52 114.15 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 ' HB ' ' CG ' ' A' ' 24' ' ' TRP . 2.4 t -100.65 156.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.77 HG12 ' CB ' ' A' ' 58' ' ' LYS . 9.6 p -135.42 154.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.69 -155.69 22.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 p -120.86 147.76 44.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.1 m -74.06 138.66 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.28 125.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -171.98 81.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.49 97.36 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.73 5.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.78 -171.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 110.07 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 t -131.49 -55.88 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.123 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -173.87 143.02 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 m -148.47 -58.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.05 -118.41 6.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m 60.91 95.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.79 137.82 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 104.76 1.01 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.08 120.97 14.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.04 70.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.33 175.05 17.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.63 -112.25 2.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.94 101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 m -114.77 165.32 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.25 -90.03 0.41 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -154.69 131.37 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.0 127.33 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.658 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -41.78 152.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 33' ' ' VAL . 4.1 p -86.62 144.67 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' HD23 ' A' ' 20' ' ' LEU . 86.3 m-20 -83.74 120.91 26.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 80' ' ' ALA . 63.7 mt -130.95 143.22 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 115.48 29.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.546 HD11 HG21 ' A' ' 31' ' ' VAL . 2.7 mm -79.71 90.39 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 84' ' ' VAL . 3.4 mm -83.38 136.75 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 11.1 t90 -167.13 111.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 108.053 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.4 -75.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.28 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -121.93 158.88 28.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -137.45 103.35 5.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -102.39 108.17 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.592 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -68.31 119.8 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.99 HG11 HD13 ' A' ' 49' ' ' ILE . 6.2 m -141.1 142.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.551 ' HG3' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -110.23 120.85 43.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.4 m -133.99 150.54 74.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -74.64 -19.82 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -15.64 60.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.52 139.04 54.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' GLU . 54.3 p -81.51 144.73 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.25 -28.51 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.8 t -79.55 -47.33 15.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.4 mt-10 -38.63 -41.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 71' ' ' LEU . 5.2 mt -41.45 -49.71 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' A' ' 59' ' ' VAL . 25.2 mmtp -46.42 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -62.3 -19.97 63.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -30.47 51.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.612 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.8 mt -92.92 -44.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' N ' HE22 ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.41 -25.72 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -12.14 60.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.99 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.612 ' CG2' HG22 ' A' ' 46' ' ' ILE . 20.0 p -52.52 -34.7 51.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.79 -11.82 55.22 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.9 168.07 21.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -74.98 -26.28 11.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.79 -25.92 65.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -5.89 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 25.5 mt-30 -79.88 151.57 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.585 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.09 91.85 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.592 HG23 ' HE3' ' A' ' 43' ' ' LYS . 20.1 t -78.52 108.4 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.21 120.2 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.4 OUTLIER -127.65 99.8 5.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt 45.85 26.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 151.01 151.82 5.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.9 141.07 28.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG22 HD13 ' A' ' 74' ' ' ILE . 14.6 t -102.17 114.22 65.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -62.91 -20.83 65.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.89 -12.42 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -126.11 147.93 49.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.5 p -81.48 163.46 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.893 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -48.85 -55.7 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -20.32 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.55 -36.88 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -77.47 -5.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 7.3 mtpt 85.63 92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG23 HG13 ' A' ' 74' ' ' ILE . 69.7 t -146.6 142.98 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -133.59 -173.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 8.0 p -78.73 104.09 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 114.22 23.97 4.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -77.68 121.09 23.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 139.93 58.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.9 mm -138.1 111.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 ttm -88.43 137.05 32.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 27.3 t -117.56 142.49 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.585 HG11 ' CB ' ' A' ' 58' ' ' LYS . 3.1 m -98.41 173.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -137.59 -155.86 7.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.0 83.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 88' ' ' THR . 10.5 t -108.82 64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.5 tt -50.42 138.4 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.42 107.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 146.23 93.5 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -77.04 127.77 33.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.7 t -141.63 -58.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -148.39 158.84 44.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.41 167.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.61 153.21 11.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.43 145.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -155.1 151.45 28.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.05 140.14 4.1 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 t70 177.5 166.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.47 142.42 51.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.14 176.34 21.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.22 118.89 0.9 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.31 113.07 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -76.94 150.13 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.05 -90.13 0.53 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.0 -145.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.17 143.58 27.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.41 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.3 p -91.36 149.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.2 m-20 -83.84 136.2 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 19' ' ' ASP . 75.2 mt -143.86 146.36 32.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -101.68 119.87 39.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mm -79.63 84.46 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.7 mm -82.69 120.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 15.2 t90 -160.47 110.34 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.41 -63.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 6.9 mmtt 177.52 43.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.42 ' HB ' ' NE2' ' A' ' 29' ' ' HIS . 1.6 p -123.33 150.44 43.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -133.35 93.94 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' NE2' ' HB ' ' A' ' 27' ' ' THR . 7.4 m170 -99.21 112.29 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -74.14 104.12 4.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.999 HG11 HD13 ' A' ' 49' ' ' ILE . 18.3 m -120.43 140.52 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HG3' HD23 ' A' ' 17' ' ' LEU . 35.3 pttt -106.69 112.2 25.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 m -125.95 153.46 73.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.59 41.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -76.55 -21.05 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -17.17 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 128.5 36.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' GLU . 71.1 p -73.76 147.67 43.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.31 -24.26 1.52 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -82.49 -40.14 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' THR . 3.3 mt-10 -58.18 -25.85 62.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.966 HD11 HD21 ' A' ' 71' ' ' LEU . 5.5 mt -51.51 -45.7 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.823 ' HE2' HG23 ' A' ' 59' ' ' VAL . 1.7 mmtp -58.2 -45.19 88.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.06 -19.2 63.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.79 -33.16 17.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 84' ' ' VAL . 4.4 mt -81.81 -37.14 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.461 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.72 -25.99 67.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -12.23 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.999 HD13 HG11 ' A' ' 31' ' ' VAL . 1.2 mt -114.36 -60.63 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.586 ' CG2' HG22 ' A' ' 46' ' ' ILE . 25.8 p -55.33 -32.88 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.77 -30.02 6.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -68.58 168.22 15.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.49 40.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.4 Cg_endo -74.98 -28.16 9.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.9 73.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mtm -104.57 36.58 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.451 HE22 ' N ' ' A' ' 47' ' ' HIS . 6.2 mt-30 -113.74 141.02 47.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 1.3 tttt -115.51 92.0 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.823 HG23 ' HE2' ' A' ' 43' ' ' LYS . 32.8 t -84.01 112.75 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 mtp -150.24 120.49 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -127.45 99.81 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.93 21.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.77 155.28 7.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.15 139.96 40.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HD13 ' A' ' 74' ' ' ILE . 13.0 t -107.29 119.77 49.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.5 17.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -81.48 -31.65 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -20.57 66.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -113.61 143.24 44.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.957 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.4 p -82.58 170.27 15.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.966 HD21 HD11 ' A' ' 42' ' ' LEU . 2.0 mt -49.9 -60.42 2.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HG3' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -49.28 -26.04 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -86.86 -45.74 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.957 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -67.67 -9.91 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 1.7 mtpm? 81.47 86.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 HG13 ' A' ' 74' ' ' ILE . 6.4 t -123.55 158.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 51.3 p -142.01 166.63 24.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.422 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 90.4 p -75.9 104.38 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.41 24.02 4.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.427 1.079 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -80.05 171.93 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -106.57 148.48 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.8 mm -138.15 102.56 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -86.22 128.54 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.601 HG21 HG21 ' A' ' 46' ' ' ILE . 58.4 t -120.09 162.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 58' ' ' LYS . 3.1 p -122.19 163.6 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.55 176.37 14.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.07 90.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -153.1 138.89 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 pp -93.36 120.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.5 p -55.21 147.12 17.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.71 -75.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 165.37 31.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.7 m -159.64 103.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -119.91 120.67 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -171.35 168.72 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.06 169.01 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.93 -178.42 30.99 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -141.86 170.0 16.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 0.0 109.955 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.76 145.5 49.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.01 -144.78 7.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.62 152.01 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.4 175.25 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.49 -177.79 15.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.62 -145.61 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.2 -177.65 29.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.1 134.06 66.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.6 92.23 0.52 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.26 140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.32 98.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.674 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -39.96 153.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.8 p -88.12 146.29 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 m-20 -84.59 134.36 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 19' ' ' ASP . 53.3 mt -146.1 143.91 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -101.16 112.77 25.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 31' ' ' VAL . 16.9 mm -74.1 82.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 84' ' ' VAL . 18.3 mm -73.84 131.29 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.1 t90 -165.27 115.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.12 -75.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -171.21 40.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 p -122.97 160.62 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 101.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -103.3 112.14 24.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.82 114.01 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.053 HG11 HD13 ' A' ' 49' ' ' ILE . 11.3 m -133.91 141.64 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -109.54 119.43 39.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.9 m -132.06 151.92 79.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 149.48 36.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD13 HG11 ' A' ' 18' ' ' VAL . 3.9 tp -73.59 -14.82 61.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -16.61 64.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.29 130.76 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 53.5 p -73.14 146.46 45.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.76 -25.99 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -81.24 -42.21 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' LYS . 10.6 mt-10 -47.88 -36.17 11.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.932 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.4 mt -44.12 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.737 ' CE ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.44 -60.44 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.14 -19.94 65.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -80.24 -30.78 38.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.625 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.0 mt -89.05 -44.36 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -29.95 63.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -67.61 -16.02 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.053 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.17 -60.32 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 ' CG2' HG22 ' A' ' 46' ' ' ILE . 17.3 p -53.06 -34.32 55.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.61 -0.48 60.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD22 ' HB ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -91.04 167.52 15.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.5 33.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.98 -31.29 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.44 66.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.81 35.84 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -108.82 162.77 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.372 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.808 ' HB2' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -129.1 104.87 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.737 HG21 ' CE ' ' A' ' 43' ' ' LYS . 2.0 t -109.02 106.79 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -142.75 120.18 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t80 -127.69 102.54 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.82 30.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 141.3 165.11 10.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -53.81 136.75 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 74' ' ' ILE . 15.4 t -99.46 114.96 65.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.85 14.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -79.63 -26.98 40.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -30.93 69.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -102.33 158.28 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 74' ' ' ILE . 72.6 p -96.47 166.75 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.932 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -45.79 -59.05 3.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -50.37 -21.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.6 mm-40 -94.66 -33.98 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 70' ' ' THR . 0.6 OUTLIER -77.22 -8.14 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ILE . 1.1 mmtt 80.29 92.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 77' ' ' THR . 5.8 t -130.54 163.3 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.487 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 56.6 p -133.51 168.96 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.454 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 p -85.85 100.35 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.69 24.12 4.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 61' ' ' TYR . . . -76.86 176.82 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -119.18 151.68 37.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 81' ' ' LYS . 4.9 mm -137.84 102.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.97 124.3 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 23' ' ' ILE . 21.4 t -118.93 159.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.808 HG12 ' HB2' ' A' ' 58' ' ' LYS . 2.3 p -141.82 -175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.698 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 130.18 -68.51 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.27 156.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.1 m 60.49 111.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.668 HG22 ' N ' ' A' ' 90' ' ' SER . 23.7 mt -87.07 -84.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.668 ' N ' HG22 ' A' ' 89' ' ' ILE . 29.2 t 64.02 108.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.17 155.77 17.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.9 m -70.85 141.52 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.88 99.03 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.26 127.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -175.94 162.21 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.83 149.8 5.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.8 167.44 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.954 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p -158.65 170.96 21.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.97 177.13 20.23 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -146.41 -54.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.34 170.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.63 -127.4 1.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.44 -151.26 5.88 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 13' ' ' VAL . . . 122.95 -80.24 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 12' ' ' GLY . 4.1 m 41.38 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 13' ' ' VAL . . . 106.36 -86.96 0.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.39 121.29 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -53.99 107.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.679 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -40.06 151.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 33' ' ' VAL . 3.5 p -85.83 140.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.9 t0 -79.42 135.16 36.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.026 HD22 ' HB3' ' A' ' 80' ' ' ALA . 94.9 mt -144.4 151.76 39.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.19 115.11 29.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 46' ' ' ILE . 12.4 mm -80.2 89.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 mm -75.96 137.06 23.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.608 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.2 t90 -169.21 112.69 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 71.33 -63.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER 175.56 39.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.83 156.35 32.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.447 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -131.08 98.82 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -98.69 106.23 18.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.95 112.16 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.126 HG11 HD13 ' A' ' 49' ' ' ILE . 5.7 m -131.83 143.38 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -109.73 117.92 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.79 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.6 m -129.04 152.92 80.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.99 32.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' HG11 ' A' ' 18' ' ' VAL . 3.2 tp -74.44 -12.86 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.27 -15.57 60.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -59.74 145.93 43.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.492 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.8 p -88.76 144.14 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.94 -25.75 0.7 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 p -75.4 -45.19 40.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' THR . 4.2 mt-10 -53.03 -37.49 61.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.7 mt -40.28 -51.85 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -47.51 -60.17 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -19.86 65.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -29.82 37.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.794 HG21 HG21 ' A' ' 84' ' ' VAL . 2.4 mt -92.23 -36.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -29.29 68.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.595 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -11.71 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.126 HD13 HG11 ' A' ' 31' ' ' VAL . 1.7 mt -114.05 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.608 ' HB ' ' CZ3' ' A' ' 24' ' ' TRP . 32.3 p -51.5 -35.97 42.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.36 -23.07 12.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.5 168.02 31.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 0.797 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 147.86 34.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.2 Cg_endo -75.04 -31.29 6.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.78 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.53 66.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.26 27.42 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 12.0 mt-30 -109.68 158.76 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -129.04 94.18 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG21 ' CD ' ' A' ' 43' ' ' LYS . 3.5 t -88.79 108.74 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.8 mtp -150.15 120.72 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' GLY . 2.6 t80 -127.35 101.48 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 25.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.0 155.83 7.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 141.51 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 74' ' ' ILE . 12.6 t -101.75 112.52 65.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.14 -14.04 60.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -12.49 57.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -124.98 145.78 49.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' ILE . 35.7 p -82.58 163.07 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.007 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.8 mt -43.67 -58.98 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HG3' HD23 ' A' ' 35' ' ' LEU . 1.8 ttp85 -48.59 -30.65 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' THR . 2.3 mt-10 -84.4 -40.45 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -72.6 -5.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 81.92 86.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG23 HG13 ' A' ' 74' ' ' ILE . 47.8 t -136.73 145.82 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.0 p -137.85 177.39 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.434 ' CA ' HG23 ' A' ' 18' ' ' VAL . 85.3 p -74.11 104.8 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.39 24.02 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.026 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -71.97 -179.79 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.86 136.28 54.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 10.3 mm -133.15 116.28 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 141.62 28.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.794 HG21 HG21 ' A' ' 46' ' ' ILE . 99.5 t -133.6 145.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t -139.24 141.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.56 -143.56 3.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.06 -62.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 m -110.88 155.92 21.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.98 -84.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 t 66.92 88.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.15 97.08 0.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.417 1.746 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.5 -57.75 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.67 127.27 33.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.948 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.23 -77.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.4 172.84 8.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.47 -140.08 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.99 88.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -98.55 162.66 13.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.37 -169.2 36.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 178.28 102.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.4 177.87 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.39 98.01 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.26 -117.81 5.52 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.04 137.28 3.04 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.02 148.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -125.85 -133.43 3.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.546 ' O ' HD22 ' A' ' 17' ' ' LEU . 6.8 mttm 71.73 144.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' LEU . 10.6 pt-20 -89.28 47.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.688 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -39.8 149.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG11 HD13 ' A' ' 35' ' ' LEU . 2.9 p -87.14 139.8 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.73 118.58 22.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 80' ' ' ALA . 52.2 mt -128.43 145.86 50.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.55 120.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 HG21 ' A' ' 31' ' ' VAL . 4.8 mm -83.92 87.87 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mm -83.85 135.24 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.615 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.8 t90 -165.84 122.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 21.2 m120 62.33 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -165.98 39.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -124.29 156.12 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.24 130.89 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -135.66 121.4 19.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.96 111.42 19.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.062 HG11 HD13 ' A' ' 49' ' ' ILE . 14.6 m -130.9 141.53 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -103.04 117.41 34.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.648 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 m -128.42 154.18 79.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.59 42.54 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.544 1.813 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.739 HD13 HG11 ' A' ' 18' ' ' VAL . 3.6 tp -79.69 -21.77 44.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.28 -13.23 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.32 128.7 37.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' SER . 16.0 p -78.02 141.71 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.01 -31.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -75.41 -52.54 10.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.012 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' THR . 5.1 mt-10 -47.33 -38.15 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.029 HD11 ' CD2' ' A' ' 71' ' ' LEU . 3.0 mt -39.98 -56.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.695 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -50.2 -48.48 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -20.43 66.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -34.3 20.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 43' ' ' LYS . 3.9 mt -76.24 -39.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.7 OUTLIER -59.11 -38.79 80.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -17.49 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.062 HD13 HG11 ' A' ' 31' ' ' VAL . 1.9 mt -113.67 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 ' CB ' HD23 ' A' ' 52' ' ' LEU . 27.6 p -57.72 -32.14 67.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . 75.64 -1.45 57.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.742 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -87.24 169.06 15.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.742 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 149.43 36.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.01 -35.23 3.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.5 -37.86 65.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mtm -80.77 -38.33 28.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 43' ' ' LYS . 70.2 mt-30 -46.68 144.62 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -126.56 91.73 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.624 HG23 ' CE ' ' A' ' 43' ' ' LYS . 19.9 t -78.11 109.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtp -150.24 120.17 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -127.34 99.82 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 46.84 25.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.68 148.78 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.76 141.36 26.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.588 HG22 HD13 ' A' ' 74' ' ' ILE . 25.9 t -104.53 131.31 21.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 18.1 Cg_endo -75.03 128.32 11.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -81.74 -16.86 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.13 -4.19 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.28 158.51 37.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 74' ' ' ILE . 58.8 p -96.23 163.43 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.029 ' CD2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.48 -61.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -28.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' THR . 4.5 mm-40 -86.59 -40.77 14.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -71.35 -6.72 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER 83.15 80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.619 HG23 HG13 ' A' ' 74' ' ' ILE . 41.1 t -128.61 148.35 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -138.55 -174.73 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.584 ' HA ' HG23 ' A' ' 18' ' ' VAL . 2.2 m -76.22 105.78 7.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.08 14.96 7.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.672 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -70.5 122.63 20.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 144.07 47.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.5 mm -137.62 124.48 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.51 144.01 31.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 46' ' ' ILE . 34.9 t -128.02 138.29 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -132.56 151.54 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.99 -168.6 25.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 63.53 109.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.2 m -90.64 123.15 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 mt -70.83 86.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.11 151.46 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.23 132.93 7.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 79.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.2 p -172.66 169.71 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -114.55 158.93 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 132.59 10.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.3 p -169.19 126.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.82 172.33 43.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.74 -59.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 63.9 147.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.81 135.0 6.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -148.88 161.77 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.47 171.26 6.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.24 -157.33 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.29 119.97 1.8 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' VAL . . . 170.78 -96.85 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.0 m 38.92 40.05 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.28 -77.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -144.48 124.24 13.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -78.63 118.15 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -39.83 154.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -88.65 141.96 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.13 114.9 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 80' ' ' ALA . 43.5 mt -125.12 146.32 49.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.0 124.15 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.618 HD11 HG21 ' A' ' 31' ' ' VAL . 4.5 mm -87.76 88.06 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -79.74 130.9 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.43 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 14.0 t90 -161.41 111.58 1.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.06 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.83 39.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.15 149.64 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.442 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -128.19 99.52 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -93.73 123.21 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.606 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -81.59 113.85 19.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.043 HG11 HD13 ' A' ' 49' ' ' ILE . 15.7 m -137.45 138.94 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -107.11 130.97 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.785 ' O ' HG12 ' A' ' 18' ' ' VAL . 1.5 m -144.3 152.49 54.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.48 32.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.757 HD21 ' O ' ' A' ' 76' ' ' VAL . 4.8 tp -74.24 -17.97 60.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -17.98 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -57.23 148.69 21.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . 11.7 p -88.96 142.69 27.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.91 -27.03 0.34 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -73.66 -47.03 42.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' THR . 17.0 mt-10 -49.27 -39.58 31.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 71' ' ' LEU . 6.2 mt -40.71 -51.22 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -47.64 -62.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.82 -19.36 62.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.53 -30.13 33.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' A' ' 50' ' ' THR . 2.7 mt -90.87 -38.55 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -31.14 72.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -12.2 59.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.043 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mt -114.28 -60.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.48 ' CG2' HG22 ' A' ' 46' ' ' ILE . 23.9 p -53.24 -34.37 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.6 -5.42 61.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 57' ' ' GLN . 0.1 OUTLIER -89.68 167.53 17.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.93 29.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.95 -31.53 6.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.51 64.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mmm -104.87 29.39 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' HD21 ' A' ' 52' ' ' LEU . 10.7 mt-30 -113.37 154.71 26.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' CB ' HG11 ' A' ' 85' ' ' VAL . 2.6 tmtt? -129.0 91.56 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 t -83.22 113.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.2 mtp -150.65 120.67 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.463 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.25 103.24 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt 50.28 23.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 148.91 158.1 7.9 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -53.64 139.05 33.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 HD13 ' A' ' 74' ' ' ILE . 6.9 t -106.69 106.7 58.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.64 19.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -80.58 -15.69 55.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -3.94 50.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -132.51 139.9 48.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' ILE . 81.5 p -76.97 165.95 23.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.4 mt -50.94 -60.55 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.433 ' HG3' HD23 ' A' ' 35' ' ' LEU . 2.6 ttt-85 -55.22 -18.51 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -89.03 -43.3 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.716 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -75.86 -2.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mttt 85.4 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.757 ' O ' HD21 ' A' ' 35' ' ' LEU . 75.3 t -136.49 146.66 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -144.8 -173.21 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 78.8 p -76.01 107.63 8.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.37 23.23 4.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.724 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -84.29 121.02 26.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.96 145.98 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.4 mm -138.06 106.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.36 132.39 34.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 50' ' ' THR . 28.5 t -119.12 138.64 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.521 HG11 ' CB ' ' A' ' 58' ' ' LYS . 1.7 m -100.09 170.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.76 -168.94 13.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t 58.04 103.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.3 t -152.82 143.61 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.426 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.3 mm 44.68 73.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.36 121.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.15 -172.43 23.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.53 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.76 132.14 51.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m 47.19 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -168.49 149.79 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -176.24 165.79 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.19 121.48 0.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -169.62 147.22 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 0.798 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -173.08 166.87 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.75 103.85 0.88 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -164.79 135.34 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.63 151.12 42.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.32 -175.05 15.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.49 169.16 40.11 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.92 155.49 26.48 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.8 t -111.94 128.64 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.36 -71.48 3.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 -167.33 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.85 115.13 20.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -40.16 150.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 33' ' ' VAL . 5.0 p -82.88 147.79 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -85.46 133.42 34.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.001 HD22 ' HB3' ' A' ' 80' ' ' ALA . 88.7 mt -144.79 147.03 32.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 118.28 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.557 HD11 HG21 ' A' ' 31' ' ' VAL . 4.4 mm -84.11 88.78 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG13 ' CG ' ' A' ' 81' ' ' LYS . 4.6 mm -80.4 132.01 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 15.8 t90 -163.19 106.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.965 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.03 -73.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.37 37.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 24' ' ' TRP . 2.5 p -120.7 146.28 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 104.67 8.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -104.97 105.95 16.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -70.85 105.38 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.066 HG11 HD13 ' A' ' 49' ' ' ILE . 14.0 m -126.02 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HG3' HD23 ' A' ' 17' ' ' LEU . 14.4 pttt -110.05 118.04 35.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.826 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 m -129.07 153.23 80.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 149.54 37.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.772 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.643 HD11 HG12 ' A' ' 76' ' ' VAL . 3.1 tp -72.24 -20.78 61.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.08 -12.1 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 m -59.43 128.03 35.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLU . 57.9 p -73.63 140.56 46.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -45.82 -25.11 1.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.463 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . 28.9 t -77.95 -39.17 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.746 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.7 mt-10 -61.9 -33.5 74.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.076 HD11 HD21 ' A' ' 71' ' ' LEU . 3.8 mt -42.19 -54.48 3.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' CD ' HG21 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -46.84 -55.91 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -79.73 -31.23 41.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.669 HG22 ' CG2' ' A' ' 50' ' ' THR . 3.1 mt -88.65 -42.62 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -30.17 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -12.32 61.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.066 HD13 HG11 ' A' ' 31' ' ' VAL . 1.6 mt -113.23 -60.41 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.669 ' CG2' HG22 ' A' ' 46' ' ' ILE . 69.2 p -52.13 -35.6 48.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.05 -25.41 8.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -75.58 167.37 37.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 145.98 32.03 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 57' ' ' GLN . 18.4 Cg_endo -74.97 -26.5 10.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.69 -16.34 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.05 -34.74 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.577 ' OE1' HG21 ' A' ' 50' ' ' THR . 27.9 mt-30 -56.71 143.71 35.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.659 ' HB2' HG12 ' A' ' 85' ' ' VAL . 7.2 tttm -117.43 92.03 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG21 ' CD ' ' A' ' 43' ' ' LYS . 17.3 t -76.54 107.37 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 mtp -150.12 120.41 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 63' ' ' GLY . 1.5 t80 -127.47 102.97 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt 46.94 25.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 150.3 150.35 5.25 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.94 140.8 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.611 HG22 HD13 ' A' ' 74' ' ' ILE . 17.5 t -102.24 115.36 64.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.8 22.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 40' ' ' SER . 35.1 mt-10 -82.61 -31.48 28.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -24.96 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -113.3 138.49 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.961 ' O ' HG23 ' A' ' 74' ' ' ILE . 14.6 p -79.72 169.05 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.076 HD21 HD11 ' A' ' 42' ' ' LEU . 15.3 mt -46.92 -58.87 3.51 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -50.89 -21.56 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' THR . 8.5 mm-40 -95.06 -31.68 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -80.14 1.74 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 76.04 74.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 HG13 ' A' ' 74' ' ' ILE . 7.6 t -117.74 152.35 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.2 p -137.45 177.16 8.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 18' ' ' VAL . 1.4 t -80.43 103.43 10.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.48 20.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.001 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -65.99 -179.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' CG ' HG13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -122.62 149.28 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.6 mm -138.11 116.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 130.48 42.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 57' ' ' GLN . 26.0 t -123.48 146.97 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 58' ' ' LYS . 1.7 p -137.55 174.73 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.511 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 127.97 -90.4 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 72.07 66.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 90' ' ' SER . 13.0 t -170.15 148.1 3.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.91 -34.56 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 88' ' ' THR . 0.1 OUTLIER 39.44 88.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.72 121.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.72 10.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.561 1.821 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -131.18 120.81 23.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 m -164.5 88.71 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.28 143.8 20.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.13 112.44 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.63 69.06 0.22 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.64 106.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -164.47 125.61 2.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 118.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.95 -55.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.53 170.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.64 144.26 6.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.32 -149.02 17.01 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.52 178.95 19.25 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.67 137.3 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.36 -79.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -141.98 123.87 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.85 121.44 14.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.14 151.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -83.12 151.12 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.489 ' O ' HD23 ' A' ' 20' ' ' LEU . 11.0 t0 -88.4 122.21 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 47.7 mt -136.27 144.28 44.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -106.08 129.35 54.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 31' ' ' VAL . 5.3 mm -87.86 85.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.436 HD13 ' HG2' ' A' ' 28' ' ' LYS . 14.9 mm -77.45 120.14 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 52' ' ' LEU . 16.6 t90 -152.88 109.63 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.11 -71.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.92 36.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.0 p -117.3 152.86 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HG2' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -136.09 96.57 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.36 109.13 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.38 102.98 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.985 HG11 HD13 ' A' ' 49' ' ' ILE . 18.9 m -118.08 141.96 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 5.1 ptmt -108.92 111.39 23.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 m -129.83 151.53 78.33 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.58 33.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 HG12 ' A' ' 76' ' ' VAL . 3.7 tp -66.66 -17.94 65.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.53 -13.65 53.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB2' HD12 ' A' ' 71' ' ' LEU . 71.8 m -59.62 122.28 13.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLU . 28.8 p -75.74 142.74 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.654 ' HA2' HD12 ' A' ' 42' ' ' LEU . . . -43.52 -26.34 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -77.87 -46.05 22.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.947 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' THR . 49.2 mt-10 -55.77 -36.59 67.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 71' ' ' LEU . 7.9 mt -40.32 -46.56 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 54' ' ' PRO . 60.0 mmtt -48.49 -65.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -14.39 54.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.84 29.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.596 HG22 ' CG2' ' A' ' 50' ' ' THR . 4.0 mt -91.45 -39.27 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -24.21 67.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -13.02 60.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.985 HD13 HG11 ' A' ' 31' ' ' VAL . 1.3 mt -114.18 -62.26 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.665 ' CB ' HD23 ' A' ' 52' ' ' LEU . 78.1 p -52.94 -35.36 58.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 -23.03 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 50' ' ' THR . 0.1 OUTLIER -72.55 167.8 29.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.02 142.78 28.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' LYS . 18.2 Cg_endo -75.05 -27.98 9.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.74 -22.9 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -18.21 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CG ' HD11 ' A' ' 52' ' ' LEU . 45.2 mt-30 -74.37 157.2 36.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.94 92.78 3.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.26 108.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 mtp -150.27 120.18 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.49 ' CE2' ' HB1' ' A' ' 80' ' ' ALA . 4.0 t80 -127.57 102.86 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.056 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt 44.11 27.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 153.19 150.3 5.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.72 139.32 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 74' ' ' ILE . 11.7 t -109.42 109.05 60.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 123.32 7.8 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -70.84 -5.61 31.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.26 -19.88 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.566 ' HB2' HG22 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -116.92 142.98 46.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 74' ' ' ILE . 80.8 p -77.41 164.08 25.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 42' ' ' LEU . 20.3 mt -52.34 -48.95 65.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HG3' HD23 ' A' ' 35' ' ' LEU . 5.5 ttm180 -64.87 -15.68 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.1 -36.34 12.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.684 HD13 HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -82.88 6.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.59 81.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.674 HG12 HD11 ' A' ' 35' ' ' LEU . 39.2 t -132.6 152.28 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 76' ' ' VAL . 10.9 p -154.78 -177.39 6.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.442 ' CA ' HG23 ' A' ' 18' ' ' VAL . 35.7 p -70.6 110.31 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.28 24.16 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -94.26 120.53 34.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 152.58 42.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.6 mm -137.01 107.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.59 138.63 35.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' ILE . 6.1 t -125.69 156.51 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -137.92 148.46 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.499 ' HA3' HD13 ' A' ' 52' ' ' LEU . . . 155.96 179.0 30.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 86' ' ' GLY . 0.6 OUTLIER 84.22 104.41 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 0.78 . . . . 0.0 110.014 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.45 102.77 3.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 89' ' ' ILE . 3.6 mt 51.98 76.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.37 169.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.32 169.31 31.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 167.63 26.62 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.09 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -160.25 137.27 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -165.99 168.09 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.69 163.05 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.2 -128.05 1.82 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 63.72 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -168.98 156.08 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.08 129.87 3.3 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -176.33 138.31 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.96 150.41 22.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.89 166.4 10.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.23 -164.17 35.24 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 56.26 -143.83 37.28 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -81.99 158.01 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.753 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.36 145.46 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -137.34 -168.49 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' LEU . 1.4 tt0 -59.22 116.82 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.657 ' H ' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -40.2 156.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.926 HG11 HD13 ' A' ' 35' ' ' LEU . 2.4 p -96.21 141.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.522 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -76.81 129.65 36.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.075 HD22 ' HB3' ' A' ' 80' ' ' ALA . 73.6 mt -142.53 152.52 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.95 128.91 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 31' ' ' VAL . 7.0 mm -94.41 119.42 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 22' ' ' ILE . 2.9 mm -114.99 130.55 69.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.602 ' CZ3' ' HB ' ' A' ' 50' ' ' THR . 17.5 t90 -159.0 34.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 107.968 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER 166.14 -45.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 5.9 mttm 163.53 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.2 p -54.56 161.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -125.34 94.07 4.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.97 105.96 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.616 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 114.74 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 49' ' ' ILE . 5.1 m -133.05 144.45 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.75 126.69 52.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.0 m -140.74 152.63 66.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.89 41.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.926 HD13 HG11 ' A' ' 18' ' ' VAL . 3.7 tp -83.65 -14.93 50.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -10.69 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -66.61 137.17 56.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . 16.8 p -72.13 141.2 49.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.0 -26.5 0.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -76.06 -44.75 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' THR . 1.0 OUTLIER -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HG ' HD21 ' A' ' 71' ' ' LEU . 3.7 mt -40.84 -49.98 3.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 59' ' ' VAL . 7.2 mptt -48.3 -56.3 8.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -65.98 -21.45 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -81.41 -28.7 34.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 84' ' ' VAL . 2.8 mt -91.36 -40.88 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -61.9 -20.74 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -19.04 60.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.759 HD13 HG11 ' A' ' 31' ' ' VAL . 2.4 mt -109.37 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.717 ' CG2' HG22 ' A' ' 46' ' ' ILE . 76.7 p -47.19 -38.39 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.05 -11.68 53.42 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -85.2 168.18 21.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HD2' HD12 ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 147.36 34.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.1 Cg_endo -75.07 -29.07 8.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.59 33.72 3.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 54' ' ' PRO . 6.1 mt-30 -112.78 152.69 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.698 ' CB ' HG12 ' A' ' 85' ' ' VAL . 1.3 tttp -125.31 91.95 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.713 HG21 ' HD2' ' A' ' 43' ' ' LYS . 2.9 t -87.91 112.34 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.6 mtp -150.34 120.8 7.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -127.15 101.07 6.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt 46.94 25.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 61' ' ' TYR . . . 148.65 153.6 6.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -54.11 140.49 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG22 HD13 ' A' ' 74' ' ' ILE . 14.7 t -100.2 113.36 65.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.95 -14.96 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.03 0.79 46.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -136.48 150.34 48.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.865 ' O ' HG23 ' A' ' 74' ' ' ILE . 69.5 p -84.91 165.04 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 mt -47.87 -56.72 6.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttm180 -53.75 -19.55 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' THR . 6.5 mm-40 -94.88 -36.34 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 70' ' ' THR . 0.7 OUTLIER -76.64 -1.95 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 80.61 77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.628 HG23 HG13 ' A' ' 74' ' ' ILE . 23.0 t -122.37 150.68 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.1 p -137.5 -178.02 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.456 ' HA ' HG23 ' A' ' 18' ' ' VAL . 14.5 t -84.08 104.26 14.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ASP . . . 115.34 19.38 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.075 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -61.26 -179.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.57 138.18 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.52 126.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.0 ttm -115.73 117.87 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.93 HG21 HG21 ' A' ' 46' ' ' ILE . 92.3 t -108.36 158.13 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.698 HG12 ' CB ' ' A' ' 58' ' ' LYS . 3.3 p -143.45 168.85 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' H ' HG22 ' A' ' 85' ' ' VAL . . . 100.58 138.77 10.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m -123.18 120.57 33.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 110.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 m -140.72 117.39 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -85.69 105.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.34 -64.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 54.66 97.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -97.05 -61.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.22 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.989 . . . . . . . . 0 0 . 1 stop_ save_